USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 807 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 82 TYR OH : rot 75:sc= -0.03 USER MOD Set 1.2: A 99 ASN : amide:sc= -0.0971 K(o=-0.13,f=-0.76) USER MOD Single : A 1 GLY N :NH3+ -111:sc= 0.0479 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0371 USER MOD Single : A 9 GLN : amide:sc= -0.307 X(o=-0.31,f=0) USER MOD Single : A 11 SER OG : rot -79:sc= 0.139 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.018 USER MOD Single : A 15 SER OG : rot 48:sc= 1.22 USER MOD Single : A 18 SER OG : rot 180:sc= -0.175 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 HIS :FLIP no HD1:sc= -8.95! C(o=-12!,f=-8.9!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -128:sc= -1.09! (180deg=-2.37!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -1.27 K(o=-1.3,f=-5.6!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -8.34! C(o=-8.3!,f=-9.4!) USER MOD Single : A 53 ASN : amide:sc= -7.24! C(o=-7.2!,f=-9.8!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -5.77! C(o=-5.8!,f=-7.6!) USER MOD Single : A 65 ASN : amide:sc= -0.0187 X(o=-0.019,f=0) USER MOD Single : A 67 HIS : no HD1:sc= -8.69! C(o=-8.7!,f=-9.1!) USER MOD Single : A 71 THR OG1 : rot -68:sc= 1.17 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -159:sc= -0.0586 (180deg=-0.358) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= -0.0508 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 ASN :FLIP amide:sc= -3.7! C(o=-4.8!,f=-3.7!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.347 7.466 -33.051 1.00 0.00 N ATOM 2 CA GLY A 1 23.345 6.737 -32.296 1.00 0.00 C ATOM 3 C GLY A 1 22.153 6.343 -33.144 1.00 0.00 C ATOM 4 O GLY A 1 21.856 6.989 -34.149 1.00 0.00 O ATOM 0 H1 GLY A 1 25.198 6.878 -33.157 1.00 0.00 H new ATOM 0 H2 GLY A 1 23.970 7.702 -33.991 1.00 0.00 H new ATOM 0 H3 GLY A 1 24.592 8.342 -32.547 1.00 0.00 H new ATOM 0 HA2 GLY A 1 23.796 5.841 -31.870 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.006 7.350 -31.461 1.00 0.00 H new ATOM 8 N SER A 2 21.468 5.277 -32.741 1.00 0.00 N ATOM 9 CA SER A 2 20.304 4.794 -33.475 1.00 0.00 C ATOM 10 C SER A 2 19.621 3.656 -32.722 1.00 0.00 C ATOM 11 O SER A 2 20.276 2.720 -32.263 1.00 0.00 O ATOM 12 CB SER A 2 20.715 4.322 -34.871 1.00 0.00 C ATOM 13 OG SER A 2 19.643 4.448 -35.788 1.00 0.00 O ATOM 0 H SER A 2 21.699 4.732 -31.911 1.00 0.00 H new ATOM 0 HA SER A 2 19.598 5.619 -33.571 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.567 4.906 -35.220 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.039 3.282 -34.826 1.00 0.00 H new ATOM 0 HG SER A 2 19.932 4.142 -36.673 1.00 0.00 H new ATOM 19 N SER A 3 18.301 3.745 -32.599 1.00 0.00 N ATOM 20 CA SER A 3 17.528 2.726 -31.899 1.00 0.00 C ATOM 21 C SER A 3 16.034 2.912 -32.145 1.00 0.00 C ATOM 22 O SER A 3 15.566 4.026 -32.376 1.00 0.00 O ATOM 23 CB SER A 3 17.819 2.776 -30.398 1.00 0.00 C ATOM 24 OG SER A 3 17.503 4.049 -29.860 1.00 0.00 O ATOM 0 H SER A 3 17.744 4.512 -32.975 1.00 0.00 H new ATOM 0 HA SER A 3 17.824 1.751 -32.287 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.240 2.007 -29.886 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.871 2.554 -30.221 1.00 0.00 H new ATOM 0 HG SER A 3 17.696 4.055 -28.899 1.00 0.00 H new ATOM 30 N GLY A 4 15.290 1.811 -32.094 1.00 0.00 N ATOM 31 CA GLY A 4 13.857 1.874 -32.314 1.00 0.00 C ATOM 32 C GLY A 4 13.253 0.512 -32.593 1.00 0.00 C ATOM 33 O GLY A 4 13.703 -0.202 -33.489 1.00 0.00 O ATOM 0 H GLY A 4 15.654 0.877 -31.904 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.377 2.308 -31.437 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.650 2.539 -33.153 1.00 0.00 H new ATOM 37 N SER A 5 12.232 0.150 -31.823 1.00 0.00 N ATOM 38 CA SER A 5 11.569 -1.139 -31.989 1.00 0.00 C ATOM 39 C SER A 5 10.084 -1.032 -31.657 1.00 0.00 C ATOM 40 O SER A 5 9.594 0.035 -31.287 1.00 0.00 O ATOM 41 CB SER A 5 12.228 -2.193 -31.097 1.00 0.00 C ATOM 42 OG SER A 5 12.148 -1.828 -29.730 1.00 0.00 O ATOM 0 H SER A 5 11.846 0.730 -31.078 1.00 0.00 H new ATOM 0 HA SER A 5 11.670 -1.441 -33.032 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.742 -3.157 -31.248 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.273 -2.314 -31.383 1.00 0.00 H new ATOM 0 HG SER A 5 12.575 -2.519 -29.181 1.00 0.00 H new ATOM 48 N SER A 6 9.372 -2.147 -31.792 1.00 0.00 N ATOM 49 CA SER A 6 7.942 -2.179 -31.511 1.00 0.00 C ATOM 50 C SER A 6 7.543 -3.508 -30.875 1.00 0.00 C ATOM 51 O SER A 6 8.301 -4.476 -30.906 1.00 0.00 O ATOM 52 CB SER A 6 7.143 -1.956 -32.796 1.00 0.00 C ATOM 53 OG SER A 6 5.766 -1.773 -32.515 1.00 0.00 O ATOM 0 H SER A 6 9.763 -3.039 -32.094 1.00 0.00 H new ATOM 0 HA SER A 6 7.717 -1.377 -30.808 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.529 -1.083 -33.321 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.271 -2.810 -33.461 1.00 0.00 H new ATOM 0 HG SER A 6 5.277 -1.631 -33.352 1.00 0.00 H new ATOM 59 N GLY A 7 6.346 -3.545 -30.298 1.00 0.00 N ATOM 60 CA GLY A 7 5.866 -4.758 -29.663 1.00 0.00 C ATOM 61 C GLY A 7 4.723 -4.497 -28.702 1.00 0.00 C ATOM 62 O GLY A 7 4.300 -3.354 -28.527 1.00 0.00 O ATOM 0 H GLY A 7 5.700 -2.756 -30.259 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.539 -5.460 -30.430 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.687 -5.232 -29.126 1.00 0.00 H new ATOM 66 N ARG A 8 4.221 -5.558 -28.080 1.00 0.00 N ATOM 67 CA ARG A 8 3.118 -5.438 -27.134 1.00 0.00 C ATOM 68 C ARG A 8 2.999 -6.693 -26.275 1.00 0.00 C ATOM 69 O ARG A 8 3.324 -7.793 -26.720 1.00 0.00 O ATOM 70 CB ARG A 8 1.804 -5.190 -27.878 1.00 0.00 C ATOM 71 CG ARG A 8 1.398 -6.333 -28.794 1.00 0.00 C ATOM 72 CD ARG A 8 2.030 -6.197 -30.170 1.00 0.00 C ATOM 73 NE ARG A 8 1.811 -7.382 -30.994 1.00 0.00 N ATOM 74 CZ ARG A 8 2.220 -7.488 -32.253 1.00 0.00 C ATOM 75 NH1 ARG A 8 2.867 -6.485 -32.830 1.00 0.00 N ATOM 76 NH2 ARG A 8 1.982 -8.600 -32.938 1.00 0.00 N ATOM 0 H ARG A 8 4.560 -6.511 -28.214 1.00 0.00 H new ATOM 0 HA ARG A 8 3.324 -4.590 -26.481 1.00 0.00 H new ATOM 0 HB2 ARG A 8 1.011 -5.019 -27.150 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.897 -4.278 -28.468 1.00 0.00 H new ATOM 0 HG2 ARG A 8 1.696 -7.282 -28.348 1.00 0.00 H new ATOM 0 HG3 ARG A 8 0.313 -6.354 -28.892 1.00 0.00 H new ATOM 0 HD2 ARG A 8 1.616 -5.324 -30.674 1.00 0.00 H new ATOM 0 HD3 ARG A 8 3.101 -6.024 -30.061 1.00 0.00 H new ATOM 0 HE ARG A 8 1.317 -8.172 -30.580 1.00 0.00 H new ATOM 0 HH11 ARG A 8 3.052 -5.629 -32.307 1.00 0.00 H new ATOM 0 HH12 ARG A 8 3.180 -6.569 -33.797 1.00 0.00 H new ATOM 0 HH21 ARG A 8 1.485 -9.374 -32.497 1.00 0.00 H new ATOM 0 HH22 ARG A 8 2.296 -8.681 -33.905 1.00 0.00 H new ATOM 90 N GLN A 9 2.531 -6.519 -25.043 1.00 0.00 N ATOM 91 CA GLN A 9 2.371 -7.638 -24.122 1.00 0.00 C ATOM 92 C GLN A 9 0.918 -7.776 -23.680 1.00 0.00 C ATOM 93 O GLN A 9 0.365 -8.876 -23.665 1.00 0.00 O ATOM 94 CB GLN A 9 3.273 -7.453 -22.900 1.00 0.00 C ATOM 95 CG GLN A 9 3.590 -8.751 -22.176 1.00 0.00 C ATOM 96 CD GLN A 9 4.753 -8.614 -21.214 1.00 0.00 C ATOM 97 OE1 GLN A 9 5.897 -8.425 -21.628 1.00 0.00 O ATOM 98 NE2 GLN A 9 4.467 -8.708 -19.921 1.00 0.00 N ATOM 0 H GLN A 9 2.256 -5.614 -24.660 1.00 0.00 H new ATOM 0 HA GLN A 9 2.661 -8.550 -24.644 1.00 0.00 H new ATOM 0 HB2 GLN A 9 4.206 -6.985 -23.215 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.791 -6.767 -22.204 1.00 0.00 H new ATOM 0 HG2 GLN A 9 2.708 -9.082 -21.628 1.00 0.00 H new ATOM 0 HG3 GLN A 9 3.819 -9.525 -22.909 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.505 -8.865 -19.622 1.00 0.00 H new ATOM 0 HE22 GLN A 9 5.210 -8.623 -19.227 1.00 0.00 H new ATOM 107 N ARG A 10 0.305 -6.653 -23.321 1.00 0.00 N ATOM 108 CA ARG A 10 -1.084 -6.649 -22.877 1.00 0.00 C ATOM 109 C ARG A 10 -1.313 -7.704 -21.799 1.00 0.00 C ATOM 110 O ARG A 10 -2.299 -8.441 -21.838 1.00 0.00 O ATOM 111 CB ARG A 10 -2.020 -6.901 -24.061 1.00 0.00 C ATOM 112 CG ARG A 10 -2.187 -5.697 -24.973 1.00 0.00 C ATOM 113 CD ARG A 10 -3.054 -4.626 -24.329 1.00 0.00 C ATOM 114 NE ARG A 10 -4.478 -4.922 -24.460 1.00 0.00 N ATOM 115 CZ ARG A 10 -5.116 -4.963 -25.624 1.00 0.00 C ATOM 116 NH1 ARG A 10 -4.460 -4.729 -26.752 1.00 0.00 N ATOM 117 NH2 ARG A 10 -6.413 -5.240 -25.662 1.00 0.00 N ATOM 0 H ARG A 10 0.748 -5.734 -23.329 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.302 -5.669 -22.453 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.636 -7.738 -24.645 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.998 -7.198 -23.683 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.208 -5.280 -25.210 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.636 -6.012 -25.915 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.798 -4.539 -23.273 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.840 -3.661 -24.790 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.012 -5.107 -23.611 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.463 -4.517 -26.727 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.953 -4.761 -27.645 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.921 -5.422 -24.797 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.902 -5.271 -26.557 1.00 0.00 H new ATOM 131 N SER A 11 -0.397 -7.771 -20.839 1.00 0.00 N ATOM 132 CA SER A 11 -0.497 -8.738 -19.753 1.00 0.00 C ATOM 133 C SER A 11 -0.490 -8.037 -18.398 1.00 0.00 C ATOM 134 O SER A 11 0.563 -7.853 -17.785 1.00 0.00 O ATOM 135 CB SER A 11 0.657 -9.740 -19.826 1.00 0.00 C ATOM 136 OG SER A 11 0.394 -10.881 -19.028 1.00 0.00 O ATOM 0 H SER A 11 0.423 -7.167 -20.791 1.00 0.00 H new ATOM 0 HA SER A 11 -1.441 -9.272 -19.862 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.813 -10.045 -20.861 1.00 0.00 H new ATOM 0 HB3 SER A 11 1.578 -9.263 -19.492 1.00 0.00 H new ATOM 0 HG SER A 11 0.571 -10.670 -18.087 1.00 0.00 H new ATOM 142 N LEU A 12 -1.673 -7.646 -17.936 1.00 0.00 N ATOM 143 CA LEU A 12 -1.806 -6.964 -16.653 1.00 0.00 C ATOM 144 C LEU A 12 -1.017 -7.688 -15.567 1.00 0.00 C ATOM 145 O LEU A 12 -0.183 -7.089 -14.888 1.00 0.00 O ATOM 146 CB LEU A 12 -3.279 -6.871 -16.253 1.00 0.00 C ATOM 147 CG LEU A 12 -3.666 -5.668 -15.392 1.00 0.00 C ATOM 148 CD1 LEU A 12 -2.881 -5.670 -14.089 1.00 0.00 C ATOM 149 CD2 LEU A 12 -3.437 -4.371 -16.153 1.00 0.00 C ATOM 0 H LEU A 12 -2.553 -7.789 -18.431 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.401 -5.958 -16.761 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.881 -6.851 -17.162 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.546 -7.780 -15.714 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.727 -5.743 -15.153 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.169 -4.807 -13.489 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.096 -6.584 -13.536 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.814 -5.620 -14.307 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.718 -3.526 -15.525 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.384 -4.288 -16.423 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.045 -4.368 -17.058 1.00 0.00 H new ATOM 161 N SER A 13 -1.284 -8.981 -15.411 1.00 0.00 N ATOM 162 CA SER A 13 -0.600 -9.787 -14.407 1.00 0.00 C ATOM 163 C SER A 13 0.693 -10.371 -14.967 1.00 0.00 C ATOM 164 O SER A 13 0.676 -11.132 -15.936 1.00 0.00 O ATOM 165 CB SER A 13 -1.513 -10.913 -13.918 1.00 0.00 C ATOM 166 OG SER A 13 -2.644 -10.395 -13.241 1.00 0.00 O ATOM 0 H SER A 13 -1.969 -9.492 -15.967 1.00 0.00 H new ATOM 0 HA SER A 13 -0.351 -9.140 -13.566 1.00 0.00 H new ATOM 0 HB2 SER A 13 -1.838 -11.516 -14.766 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.957 -11.573 -13.252 1.00 0.00 H new ATOM 0 HG SER A 13 -3.212 -11.135 -12.940 1.00 0.00 H new ATOM 172 N THR A 14 1.814 -10.010 -14.351 1.00 0.00 N ATOM 173 CA THR A 14 3.117 -10.497 -14.788 1.00 0.00 C ATOM 174 C THR A 14 3.603 -11.639 -13.903 1.00 0.00 C ATOM 175 O THR A 14 4.072 -12.663 -14.397 1.00 0.00 O ATOM 176 CB THR A 14 4.169 -9.372 -14.778 1.00 0.00 C ATOM 177 OG1 THR A 14 4.251 -8.789 -13.473 1.00 0.00 O ATOM 178 CG2 THR A 14 3.822 -8.297 -15.797 1.00 0.00 C ATOM 0 H THR A 14 1.846 -9.382 -13.548 1.00 0.00 H new ATOM 0 HA THR A 14 2.993 -10.860 -15.808 1.00 0.00 H new ATOM 0 HB THR A 14 5.133 -9.805 -15.044 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.923 -8.076 -13.475 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.579 -7.513 -15.771 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.789 -8.737 -16.794 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.849 -7.869 -15.557 1.00 0.00 H new ATOM 186 N SER A 15 3.486 -11.456 -12.592 1.00 0.00 N ATOM 187 CA SER A 15 3.916 -12.470 -11.637 1.00 0.00 C ATOM 188 C SER A 15 3.473 -12.108 -10.223 1.00 0.00 C ATOM 189 O SER A 15 2.987 -11.005 -9.975 1.00 0.00 O ATOM 190 CB SER A 15 5.437 -12.631 -11.682 1.00 0.00 C ATOM 191 OG SER A 15 5.818 -13.615 -12.628 1.00 0.00 O ATOM 0 H SER A 15 3.097 -10.615 -12.167 1.00 0.00 H new ATOM 0 HA SER A 15 3.449 -13.415 -11.914 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.899 -11.678 -11.938 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.806 -12.909 -10.695 1.00 0.00 H new ATOM 0 HG SER A 15 5.353 -13.452 -13.475 1.00 0.00 H new ATOM 197 N GLY A 16 3.645 -13.047 -9.296 1.00 0.00 N ATOM 198 CA GLY A 16 3.258 -12.808 -7.918 1.00 0.00 C ATOM 199 C GLY A 16 3.590 -11.403 -7.458 1.00 0.00 C ATOM 200 O GLY A 16 4.728 -10.953 -7.587 1.00 0.00 O ATOM 0 H GLY A 16 4.045 -13.968 -9.475 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.187 -12.979 -7.810 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.762 -13.527 -7.272 1.00 0.00 H new ATOM 204 N GLU A 17 2.593 -10.707 -6.920 1.00 0.00 N ATOM 205 CA GLU A 17 2.785 -9.343 -6.441 1.00 0.00 C ATOM 206 C GLU A 17 1.871 -9.049 -5.255 1.00 0.00 C ATOM 207 O GLU A 17 0.747 -9.546 -5.186 1.00 0.00 O ATOM 208 CB GLU A 17 2.517 -8.342 -7.566 1.00 0.00 C ATOM 209 CG GLU A 17 3.284 -7.039 -7.417 1.00 0.00 C ATOM 210 CD GLU A 17 3.437 -6.298 -8.731 1.00 0.00 C ATOM 211 OE1 GLU A 17 2.440 -6.195 -9.475 1.00 0.00 O ATOM 212 OE2 GLU A 17 4.556 -5.822 -9.016 1.00 0.00 O ATOM 0 H GLU A 17 1.645 -11.065 -6.805 1.00 0.00 H new ATOM 0 HA GLU A 17 3.820 -9.242 -6.113 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.779 -8.801 -8.519 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.450 -8.124 -7.600 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.769 -6.399 -6.701 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.271 -7.248 -7.005 1.00 0.00 H new ATOM 219 N SER A 18 2.363 -8.239 -4.323 1.00 0.00 N ATOM 220 CA SER A 18 1.593 -7.882 -3.137 1.00 0.00 C ATOM 221 C SER A 18 1.790 -6.410 -2.785 1.00 0.00 C ATOM 222 O SER A 18 2.518 -5.688 -3.467 1.00 0.00 O ATOM 223 CB SER A 18 2.003 -8.760 -1.953 1.00 0.00 C ATOM 224 OG SER A 18 1.237 -9.952 -1.913 1.00 0.00 O ATOM 0 H SER A 18 3.291 -7.818 -4.366 1.00 0.00 H new ATOM 0 HA SER A 18 0.538 -8.048 -3.355 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.062 -9.007 -2.029 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.870 -8.207 -1.023 1.00 0.00 H new ATOM 0 HG SER A 18 1.519 -10.497 -1.149 1.00 0.00 H new ATOM 230 N LEU A 19 1.136 -5.972 -1.715 1.00 0.00 N ATOM 231 CA LEU A 19 1.237 -4.587 -1.270 1.00 0.00 C ATOM 232 C LEU A 19 2.658 -4.061 -1.446 1.00 0.00 C ATOM 233 O LEU A 19 2.872 -2.858 -1.593 1.00 0.00 O ATOM 234 CB LEU A 19 0.815 -4.469 0.195 1.00 0.00 C ATOM 235 CG LEU A 19 -0.686 -4.558 0.471 1.00 0.00 C ATOM 236 CD1 LEU A 19 -0.943 -4.861 1.939 1.00 0.00 C ATOM 237 CD2 LEU A 19 -1.381 -3.267 0.062 1.00 0.00 C ATOM 0 H LEU A 19 0.530 -6.556 -1.139 1.00 0.00 H new ATOM 0 HA LEU A 19 0.568 -3.984 -1.884 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.315 -5.255 0.761 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.179 -3.517 0.582 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.097 -5.374 -0.124 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.017 -4.920 2.116 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.479 -5.812 2.201 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.517 -4.068 2.554 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.449 -3.348 0.266 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.966 -2.434 0.630 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.227 -3.092 -1.003 1.00 0.00 H new ATOM 249 N TYR A 20 3.626 -4.971 -1.431 1.00 0.00 N ATOM 250 CA TYR A 20 5.027 -4.600 -1.589 1.00 0.00 C ATOM 251 C TYR A 20 5.223 -3.723 -2.822 1.00 0.00 C ATOM 252 O TYR A 20 5.901 -2.697 -2.767 1.00 0.00 O ATOM 253 CB TYR A 20 5.899 -5.852 -1.695 1.00 0.00 C ATOM 254 CG TYR A 20 5.595 -6.893 -0.642 1.00 0.00 C ATOM 255 CD1 TYR A 20 5.699 -6.593 0.710 1.00 0.00 C ATOM 256 CD2 TYR A 20 5.204 -8.178 -1.000 1.00 0.00 C ATOM 257 CE1 TYR A 20 5.423 -7.542 1.676 1.00 0.00 C ATOM 258 CE2 TYR A 20 4.924 -9.132 -0.042 1.00 0.00 C ATOM 259 CZ TYR A 20 5.035 -8.810 1.295 1.00 0.00 C ATOM 260 OH TYR A 20 4.758 -9.758 2.253 1.00 0.00 O ATOM 0 H TYR A 20 3.466 -5.971 -1.311 1.00 0.00 H new ATOM 0 HA TYR A 20 5.327 -4.030 -0.710 1.00 0.00 H new ATOM 0 HB2 TYR A 20 5.765 -6.295 -2.682 1.00 0.00 H new ATOM 0 HB3 TYR A 20 6.947 -5.562 -1.616 1.00 0.00 H new ATOM 0 HD1 TYR A 20 6.001 -5.601 1.012 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.118 -8.435 -2.046 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.511 -7.292 2.723 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.620 -10.125 -0.338 1.00 0.00 H new ATOM 0 HH TYR A 20 4.498 -10.597 1.818 1.00 0.00 H new ATOM 270 N HIS A 21 4.623 -4.135 -3.934 1.00 0.00 N ATOM 271 CA HIS A 21 4.730 -3.388 -5.182 1.00 0.00 C ATOM 272 C HIS A 21 4.230 -1.958 -5.003 1.00 0.00 C ATOM 273 O HIS A 21 4.444 -1.102 -5.862 1.00 0.00 O ATOM 274 CB HIS A 21 3.935 -4.084 -6.287 1.00 0.00 C ATOM 275 CG HIS A 21 2.453 -4.053 -6.070 1.00 0.00 C ATOM 276 ND1 HIS A 21 1.727 -3.814 -4.953 1.00 0.00 N flip ATOM 277 CD2 HIS A 21 1.540 -4.289 -7.076 1.00 0.00 C flip ATOM 278 CE1 HIS A 21 0.402 -3.907 -5.301 1.00 0.00 C flip ATOM 279 NE2 HIS A 21 0.316 -4.194 -6.587 1.00 0.00 N flip ATOM 0 H HIS A 21 4.058 -4.982 -3.996 1.00 0.00 H new ATOM 0 HA HIS A 21 5.781 -3.354 -5.468 1.00 0.00 H new ATOM 0 HB2 HIS A 21 4.164 -3.610 -7.241 1.00 0.00 H new ATOM 0 HB3 HIS A 21 4.262 -5.121 -6.360 1.00 0.00 H new ATOM 0 HD2 HIS A 21 1.787 -4.516 -8.103 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -0.434 -3.768 -4.632 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -0.548 -4.321 -7.114 1.00 0.00 H new ATOM 287 N VAL A 22 3.561 -1.705 -3.882 1.00 0.00 N ATOM 288 CA VAL A 22 3.031 -0.379 -3.590 1.00 0.00 C ATOM 289 C VAL A 22 4.055 0.470 -2.845 1.00 0.00 C ATOM 290 O VAL A 22 4.024 1.700 -2.911 1.00 0.00 O ATOM 291 CB VAL A 22 1.742 -0.462 -2.752 1.00 0.00 C ATOM 292 CG1 VAL A 22 1.149 0.923 -2.544 1.00 0.00 C ATOM 293 CG2 VAL A 22 0.733 -1.387 -3.416 1.00 0.00 C ATOM 0 H VAL A 22 3.373 -2.402 -3.161 1.00 0.00 H new ATOM 0 HA VAL A 22 2.803 0.089 -4.548 1.00 0.00 H new ATOM 0 HB VAL A 22 1.992 -0.875 -1.775 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.239 0.844 -1.950 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.869 1.553 -2.022 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.913 1.367 -3.511 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.172 -1.434 -2.810 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.487 -1.005 -4.407 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.160 -2.386 -3.508 1.00 0.00 H new ATOM 303 N LEU A 23 4.962 -0.193 -2.136 1.00 0.00 N ATOM 304 CA LEU A 23 5.997 0.501 -1.378 1.00 0.00 C ATOM 305 C LEU A 23 7.357 0.356 -2.054 1.00 0.00 C ATOM 306 O LEU A 23 8.388 0.698 -1.477 1.00 0.00 O ATOM 307 CB LEU A 23 6.063 -0.045 0.050 1.00 0.00 C ATOM 308 CG LEU A 23 4.727 -0.433 0.683 1.00 0.00 C ATOM 309 CD1 LEU A 23 4.932 -1.489 1.758 1.00 0.00 C ATOM 310 CD2 LEU A 23 4.036 0.793 1.262 1.00 0.00 C ATOM 0 H LEU A 23 5.002 -1.210 -2.070 1.00 0.00 H new ATOM 0 HA LEU A 23 5.740 1.560 -1.344 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.711 -0.921 0.053 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.538 0.705 0.683 1.00 0.00 H new ATOM 0 HG LEU A 23 4.088 -0.854 -0.093 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.970 -1.753 2.197 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.384 -2.376 1.315 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.589 -1.096 2.534 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.086 0.498 1.709 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.672 1.243 2.025 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.854 1.517 0.468 1.00 0.00 H new ATOM 322 N GLY A 24 7.350 -0.152 -3.283 1.00 0.00 N ATOM 323 CA GLY A 24 8.588 -0.331 -4.018 1.00 0.00 C ATOM 324 C GLY A 24 9.158 -1.727 -3.863 1.00 0.00 C ATOM 325 O GLY A 24 10.173 -2.063 -4.474 1.00 0.00 O ATOM 0 H GLY A 24 6.509 -0.443 -3.782 1.00 0.00 H new ATOM 0 HA2 GLY A 24 8.412 -0.129 -5.075 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.321 0.398 -3.672 1.00 0.00 H new ATOM 329 N LEU A 25 8.506 -2.542 -3.041 1.00 0.00 N ATOM 330 CA LEU A 25 8.955 -3.910 -2.806 1.00 0.00 C ATOM 331 C LEU A 25 8.100 -4.905 -3.585 1.00 0.00 C ATOM 332 O LEU A 25 7.236 -4.515 -4.369 1.00 0.00 O ATOM 333 CB LEU A 25 8.902 -4.235 -1.312 1.00 0.00 C ATOM 334 CG LEU A 25 9.944 -3.538 -0.436 1.00 0.00 C ATOM 335 CD1 LEU A 25 9.502 -3.535 1.019 1.00 0.00 C ATOM 336 CD2 LEU A 25 11.300 -4.212 -0.582 1.00 0.00 C ATOM 0 H LEU A 25 7.665 -2.280 -2.526 1.00 0.00 H new ATOM 0 HA LEU A 25 9.985 -3.993 -3.154 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.911 -3.976 -0.939 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.016 -5.312 -1.191 1.00 0.00 H new ATOM 0 HG LEU A 25 10.037 -2.504 -0.768 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.256 -3.035 1.627 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.553 -3.006 1.110 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.380 -4.562 1.364 1.00 0.00 H new ATOM 0 HD21 LEU A 25 12.029 -3.703 0.048 1.00 0.00 H new ATOM 0 HD22 LEU A 25 11.222 -5.256 -0.277 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.621 -4.161 -1.622 1.00 0.00 H new ATOM 348 N ASP A 26 8.348 -6.191 -3.361 1.00 0.00 N ATOM 349 CA ASP A 26 7.599 -7.243 -4.040 1.00 0.00 C ATOM 350 C ASP A 26 7.349 -8.421 -3.104 1.00 0.00 C ATOM 351 O ASP A 26 7.760 -8.406 -1.944 1.00 0.00 O ATOM 352 CB ASP A 26 8.354 -7.715 -5.283 1.00 0.00 C ATOM 353 CG ASP A 26 7.461 -8.462 -6.254 1.00 0.00 C ATOM 354 OD1 ASP A 26 6.629 -7.809 -6.917 1.00 0.00 O ATOM 355 OD2 ASP A 26 7.593 -9.701 -6.349 1.00 0.00 O ATOM 0 H ASP A 26 9.061 -6.530 -2.715 1.00 0.00 H new ATOM 0 HA ASP A 26 6.636 -6.832 -4.344 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.793 -6.854 -5.787 1.00 0.00 H new ATOM 0 HB3 ASP A 26 9.178 -8.362 -4.980 1.00 0.00 H new ATOM 360 N LYS A 27 6.670 -9.443 -3.616 1.00 0.00 N ATOM 361 CA LYS A 27 6.364 -10.630 -2.828 1.00 0.00 C ATOM 362 C LYS A 27 7.633 -11.228 -2.228 1.00 0.00 C ATOM 363 O LYS A 27 7.572 -12.038 -1.305 1.00 0.00 O ATOM 364 CB LYS A 27 5.656 -11.674 -3.694 1.00 0.00 C ATOM 365 CG LYS A 27 4.187 -11.373 -3.932 1.00 0.00 C ATOM 366 CD LYS A 27 3.399 -12.637 -4.232 1.00 0.00 C ATOM 367 CE LYS A 27 1.908 -12.429 -4.018 1.00 0.00 C ATOM 368 NZ LYS A 27 1.135 -13.683 -4.239 1.00 0.00 N ATOM 0 H LYS A 27 6.321 -9.472 -4.574 1.00 0.00 H new ATOM 0 HA LYS A 27 5.703 -10.334 -2.014 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.165 -11.741 -4.656 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.745 -12.650 -3.217 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.768 -10.882 -3.053 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.088 -10.676 -4.764 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.580 -12.944 -5.262 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.750 -13.446 -3.592 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.734 -12.069 -3.004 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.548 -11.656 -4.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.123 -13.499 -4.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.281 -14.013 -5.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.460 -14.413 -3.574 1.00 0.00 H new ATOM 382 N ASN A 28 8.781 -10.820 -2.759 1.00 0.00 N ATOM 383 CA ASN A 28 10.065 -11.315 -2.275 1.00 0.00 C ATOM 384 C ASN A 28 10.733 -10.291 -1.362 1.00 0.00 C ATOM 385 O ASN A 28 11.944 -10.082 -1.429 1.00 0.00 O ATOM 386 CB ASN A 28 10.985 -11.643 -3.452 1.00 0.00 C ATOM 387 CG ASN A 28 10.576 -12.916 -4.168 1.00 0.00 C ATOM 388 OD1 ASN A 28 10.811 -14.020 -3.677 1.00 0.00 O ATOM 389 ND2 ASN A 28 9.961 -12.767 -5.335 1.00 0.00 N ATOM 0 H ASN A 28 8.849 -10.149 -3.524 1.00 0.00 H new ATOM 0 HA ASN A 28 9.883 -12.224 -1.701 1.00 0.00 H new ATOM 0 HB2 ASN A 28 10.976 -10.813 -4.159 1.00 0.00 H new ATOM 0 HB3 ASN A 28 12.009 -11.745 -3.092 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.663 -13.587 -5.863 1.00 0.00 H new ATOM 0 HD22 ASN A 28 9.787 -11.832 -5.704 1.00 0.00 H new ATOM 396 N ALA A 29 9.936 -9.656 -0.510 1.00 0.00 N ATOM 397 CA ALA A 29 10.450 -8.656 0.417 1.00 0.00 C ATOM 398 C ALA A 29 10.205 -9.071 1.864 1.00 0.00 C ATOM 399 O ALA A 29 9.232 -9.764 2.166 1.00 0.00 O ATOM 400 CB ALA A 29 9.814 -7.302 0.140 1.00 0.00 C ATOM 0 H ALA A 29 8.931 -9.816 -0.442 1.00 0.00 H new ATOM 0 HA ALA A 29 11.527 -8.577 0.266 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.208 -6.565 0.840 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.045 -6.993 -0.880 1.00 0.00 H new ATOM 0 HB3 ALA A 29 8.733 -7.376 0.261 1.00 0.00 H new ATOM 406 N THR A 30 11.094 -8.645 2.756 1.00 0.00 N ATOM 407 CA THR A 30 10.975 -8.974 4.171 1.00 0.00 C ATOM 408 C THR A 30 10.337 -7.830 4.950 1.00 0.00 C ATOM 409 O THR A 30 10.632 -6.660 4.706 1.00 0.00 O ATOM 410 CB THR A 30 12.348 -9.299 4.789 1.00 0.00 C ATOM 411 OG1 THR A 30 13.255 -8.214 4.565 1.00 0.00 O ATOM 412 CG2 THR A 30 12.920 -10.577 4.195 1.00 0.00 C ATOM 0 H THR A 30 11.905 -8.071 2.523 1.00 0.00 H new ATOM 0 HA THR A 30 10.337 -9.855 4.238 1.00 0.00 H new ATOM 0 HB THR A 30 12.214 -9.444 5.861 1.00 0.00 H new ATOM 0 HG1 THR A 30 14.125 -8.428 4.962 1.00 0.00 H new ATOM 0 HG21 THR A 30 13.890 -10.786 4.647 1.00 0.00 H new ATOM 0 HG22 THR A 30 12.241 -11.406 4.393 1.00 0.00 H new ATOM 0 HG23 THR A 30 13.040 -10.456 3.118 1.00 0.00 H new ATOM 420 N SER A 31 9.461 -8.175 5.889 1.00 0.00 N ATOM 421 CA SER A 31 8.779 -7.175 6.702 1.00 0.00 C ATOM 422 C SER A 31 9.752 -6.095 7.165 1.00 0.00 C ATOM 423 O SER A 31 9.420 -4.910 7.180 1.00 0.00 O ATOM 424 CB SER A 31 8.120 -7.837 7.914 1.00 0.00 C ATOM 425 OG SER A 31 9.075 -8.534 8.696 1.00 0.00 O ATOM 0 H SER A 31 9.207 -9.139 6.105 1.00 0.00 H new ATOM 0 HA SER A 31 8.009 -6.707 6.088 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.629 -7.079 8.524 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.346 -8.527 7.579 1.00 0.00 H new ATOM 0 HG SER A 31 8.630 -8.947 9.465 1.00 0.00 H new ATOM 431 N ASP A 32 10.956 -6.513 7.541 1.00 0.00 N ATOM 432 CA ASP A 32 11.979 -5.583 8.003 1.00 0.00 C ATOM 433 C ASP A 32 12.230 -4.492 6.966 1.00 0.00 C ATOM 434 O ASP A 32 12.442 -3.330 7.312 1.00 0.00 O ATOM 435 CB ASP A 32 13.280 -6.329 8.301 1.00 0.00 C ATOM 436 CG ASP A 32 14.476 -5.400 8.377 1.00 0.00 C ATOM 437 OD1 ASP A 32 14.331 -4.289 8.927 1.00 0.00 O ATOM 438 OD2 ASP A 32 15.558 -5.786 7.886 1.00 0.00 O ATOM 0 H ASP A 32 11.247 -7.491 7.535 1.00 0.00 H new ATOM 0 HA ASP A 32 11.621 -5.113 8.919 1.00 0.00 H new ATOM 0 HB2 ASP A 32 13.180 -6.865 9.245 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.453 -7.076 7.526 1.00 0.00 H new ATOM 443 N ASP A 33 12.205 -4.875 5.695 1.00 0.00 N ATOM 444 CA ASP A 33 12.429 -3.930 4.607 1.00 0.00 C ATOM 445 C ASP A 33 11.221 -3.018 4.422 1.00 0.00 C ATOM 446 O ASP A 33 11.366 -1.807 4.247 1.00 0.00 O ATOM 447 CB ASP A 33 12.723 -4.678 3.306 1.00 0.00 C ATOM 448 CG ASP A 33 14.204 -4.941 3.111 1.00 0.00 C ATOM 449 OD1 ASP A 33 14.836 -5.488 4.039 1.00 0.00 O ATOM 450 OD2 ASP A 33 14.729 -4.602 2.031 1.00 0.00 O ATOM 0 H ASP A 33 12.032 -5.833 5.392 1.00 0.00 H new ATOM 0 HA ASP A 33 13.290 -3.314 4.865 1.00 0.00 H new ATOM 0 HB2 ASP A 33 12.186 -5.626 3.306 1.00 0.00 H new ATOM 0 HB3 ASP A 33 12.346 -4.098 2.464 1.00 0.00 H new ATOM 455 N ILE A 34 10.030 -3.606 4.460 1.00 0.00 N ATOM 456 CA ILE A 34 8.797 -2.846 4.296 1.00 0.00 C ATOM 457 C ILE A 34 8.857 -1.530 5.064 1.00 0.00 C ATOM 458 O ILE A 34 8.548 -0.468 4.523 1.00 0.00 O ATOM 459 CB ILE A 34 7.573 -3.650 4.773 1.00 0.00 C ATOM 460 CG1 ILE A 34 7.355 -4.869 3.874 1.00 0.00 C ATOM 461 CG2 ILE A 34 6.333 -2.767 4.788 1.00 0.00 C ATOM 462 CD1 ILE A 34 6.386 -5.878 4.449 1.00 0.00 C ATOM 0 H ILE A 34 9.893 -4.607 4.603 1.00 0.00 H new ATOM 0 HA ILE A 34 8.693 -2.639 3.231 1.00 0.00 H new ATOM 0 HB ILE A 34 7.759 -4.000 5.789 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.986 -4.534 2.905 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.314 -5.357 3.699 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.476 -3.349 5.127 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.492 -1.927 5.465 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.142 -2.391 3.783 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.280 -6.715 3.759 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.764 -6.241 5.405 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.415 -5.406 4.598 1.00 0.00 H new ATOM 474 N LYS A 35 9.259 -1.606 6.328 1.00 0.00 N ATOM 475 CA LYS A 35 9.363 -0.421 7.171 1.00 0.00 C ATOM 476 C LYS A 35 10.398 0.552 6.616 1.00 0.00 C ATOM 477 O LYS A 35 10.152 1.756 6.533 1.00 0.00 O ATOM 478 CB LYS A 35 9.737 -0.819 8.601 1.00 0.00 C ATOM 479 CG LYS A 35 8.770 -1.807 9.230 1.00 0.00 C ATOM 480 CD LYS A 35 9.394 -2.516 10.421 1.00 0.00 C ATOM 481 CE LYS A 35 10.747 -3.114 10.068 1.00 0.00 C ATOM 482 NZ LYS A 35 11.863 -2.175 10.367 1.00 0.00 N ATOM 0 H LYS A 35 9.518 -2.477 6.792 1.00 0.00 H new ATOM 0 HA LYS A 35 8.392 0.075 7.180 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.737 -1.253 8.599 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.780 0.078 9.219 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.869 -1.283 9.548 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.465 -2.543 8.486 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.510 -1.812 11.245 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.726 -3.304 10.767 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.892 -4.039 10.626 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.764 -3.374 9.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.464 -2.071 9.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.475 -1.247 10.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.431 -2.550 11.153 1.00 0.00 H new ATOM 496 N LYS A 36 11.557 0.024 6.236 1.00 0.00 N ATOM 497 CA LYS A 36 12.629 0.845 5.686 1.00 0.00 C ATOM 498 C LYS A 36 12.160 1.587 4.439 1.00 0.00 C ATOM 499 O LYS A 36 12.028 2.811 4.446 1.00 0.00 O ATOM 500 CB LYS A 36 13.843 -0.024 5.350 1.00 0.00 C ATOM 501 CG LYS A 36 14.445 -0.722 6.557 1.00 0.00 C ATOM 502 CD LYS A 36 15.932 -0.975 6.371 1.00 0.00 C ATOM 503 CE LYS A 36 16.185 -2.123 5.406 1.00 0.00 C ATOM 504 NZ LYS A 36 17.628 -2.251 5.063 1.00 0.00 N ATOM 0 H LYS A 36 11.778 -0.970 6.299 1.00 0.00 H new ATOM 0 HA LYS A 36 12.914 1.580 6.439 1.00 0.00 H new ATOM 0 HB2 LYS A 36 13.550 -0.774 4.616 1.00 0.00 H new ATOM 0 HB3 LYS A 36 14.606 0.598 4.883 1.00 0.00 H new ATOM 0 HG2 LYS A 36 14.287 -0.113 7.447 1.00 0.00 H new ATOM 0 HG3 LYS A 36 13.932 -1.669 6.724 1.00 0.00 H new ATOM 0 HD2 LYS A 36 16.412 -0.071 5.997 1.00 0.00 H new ATOM 0 HD3 LYS A 36 16.387 -1.202 7.335 1.00 0.00 H new ATOM 0 HE2 LYS A 36 15.833 -3.054 5.849 1.00 0.00 H new ATOM 0 HE3 LYS A 36 15.608 -1.966 4.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 17.759 -3.044 4.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 17.958 -1.372 4.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 18.176 -2.427 5.929 1.00 0.00 H new ATOM 518 N SER A 37 11.909 0.838 3.369 1.00 0.00 N ATOM 519 CA SER A 37 11.458 1.426 2.114 1.00 0.00 C ATOM 520 C SER A 37 10.304 2.396 2.352 1.00 0.00 C ATOM 521 O SER A 37 10.317 3.526 1.862 1.00 0.00 O ATOM 522 CB SER A 37 11.023 0.329 1.140 1.00 0.00 C ATOM 523 OG SER A 37 12.103 -0.534 0.829 1.00 0.00 O ATOM 0 H SER A 37 12.011 -0.177 3.347 1.00 0.00 H new ATOM 0 HA SER A 37 12.291 1.979 1.680 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.207 -0.247 1.577 1.00 0.00 H new ATOM 0 HB3 SER A 37 10.640 0.781 0.225 1.00 0.00 H new ATOM 0 HG SER A 37 11.799 -1.227 0.206 1.00 0.00 H new ATOM 529 N TYR A 38 9.308 1.947 3.107 1.00 0.00 N ATOM 530 CA TYR A 38 8.145 2.773 3.409 1.00 0.00 C ATOM 531 C TYR A 38 8.569 4.177 3.831 1.00 0.00 C ATOM 532 O TYR A 38 8.275 5.158 3.148 1.00 0.00 O ATOM 533 CB TYR A 38 7.308 2.127 4.514 1.00 0.00 C ATOM 534 CG TYR A 38 6.469 3.114 5.294 1.00 0.00 C ATOM 535 CD1 TYR A 38 5.561 3.945 4.649 1.00 0.00 C ATOM 536 CD2 TYR A 38 6.585 3.217 6.674 1.00 0.00 C ATOM 537 CE1 TYR A 38 4.793 4.850 5.357 1.00 0.00 C ATOM 538 CE2 TYR A 38 5.820 4.117 7.390 1.00 0.00 C ATOM 539 CZ TYR A 38 4.925 4.931 6.727 1.00 0.00 C ATOM 540 OH TYR A 38 4.162 5.830 7.437 1.00 0.00 O ATOM 0 H TYR A 38 9.282 1.015 3.521 1.00 0.00 H new ATOM 0 HA TYR A 38 7.542 2.852 2.505 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.653 1.377 4.071 1.00 0.00 H new ATOM 0 HB3 TYR A 38 7.972 1.604 5.202 1.00 0.00 H new ATOM 0 HD1 TYR A 38 5.454 3.883 3.576 1.00 0.00 H new ATOM 0 HD2 TYR A 38 7.286 2.582 7.196 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.093 5.490 4.840 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.922 4.183 8.463 1.00 0.00 H new ATOM 0 HH TYR A 38 4.376 5.759 8.391 1.00 0.00 H new ATOM 550 N ARG A 39 9.262 4.264 4.962 1.00 0.00 N ATOM 551 CA ARG A 39 9.726 5.546 5.477 1.00 0.00 C ATOM 552 C ARG A 39 10.094 6.489 4.335 1.00 0.00 C ATOM 553 O ARG A 39 9.520 7.570 4.199 1.00 0.00 O ATOM 554 CB ARG A 39 10.934 5.345 6.394 1.00 0.00 C ATOM 555 CG ARG A 39 10.584 4.706 7.729 1.00 0.00 C ATOM 556 CD ARG A 39 11.824 4.482 8.580 1.00 0.00 C ATOM 557 NE ARG A 39 11.510 4.446 10.006 1.00 0.00 N ATOM 558 CZ ARG A 39 12.423 4.569 10.963 1.00 0.00 C ATOM 559 NH1 ARG A 39 13.700 4.736 10.648 1.00 0.00 N ATOM 560 NH2 ARG A 39 12.058 4.526 12.239 1.00 0.00 N ATOM 0 H ARG A 39 9.514 3.462 5.539 1.00 0.00 H new ATOM 0 HA ARG A 39 8.914 5.994 6.050 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.668 4.721 5.883 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.407 6.310 6.575 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.883 5.344 8.267 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.082 3.754 7.558 1.00 0.00 H new ATOM 0 HD2 ARG A 39 12.299 3.545 8.290 1.00 0.00 H new ATOM 0 HD3 ARG A 39 12.544 5.277 8.387 1.00 0.00 H new ATOM 0 HE ARG A 39 10.536 4.319 10.282 1.00 0.00 H new ATOM 0 HH11 ARG A 39 13.983 4.770 9.669 1.00 0.00 H new ATOM 0 HH12 ARG A 39 14.399 4.830 11.385 1.00 0.00 H new ATOM 0 HH21 ARG A 39 11.076 4.398 12.485 1.00 0.00 H new ATOM 0 HH22 ARG A 39 12.759 4.620 12.974 1.00 0.00 H new ATOM 574 N LYS A 40 11.054 6.073 3.517 1.00 0.00 N ATOM 575 CA LYS A 40 11.499 6.879 2.386 1.00 0.00 C ATOM 576 C LYS A 40 10.311 7.356 1.557 1.00 0.00 C ATOM 577 O LYS A 40 10.164 8.551 1.294 1.00 0.00 O ATOM 578 CB LYS A 40 12.458 6.075 1.506 1.00 0.00 C ATOM 579 CG LYS A 40 13.624 5.473 2.270 1.00 0.00 C ATOM 580 CD LYS A 40 14.674 4.906 1.328 1.00 0.00 C ATOM 581 CE LYS A 40 14.199 3.618 0.673 1.00 0.00 C ATOM 582 NZ LYS A 40 14.901 3.359 -0.615 1.00 0.00 N ATOM 0 H LYS A 40 11.540 5.181 3.616 1.00 0.00 H new ATOM 0 HA LYS A 40 12.021 7.752 2.778 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.904 5.275 1.016 1.00 0.00 H new ATOM 0 HB3 LYS A 40 12.845 6.722 0.719 1.00 0.00 H new ATOM 0 HG2 LYS A 40 14.077 6.235 2.905 1.00 0.00 H new ATOM 0 HG3 LYS A 40 13.260 4.684 2.929 1.00 0.00 H new ATOM 0 HD2 LYS A 40 14.909 5.641 0.559 1.00 0.00 H new ATOM 0 HD3 LYS A 40 15.595 4.717 1.880 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.366 2.782 1.352 1.00 0.00 H new ATOM 0 HE3 LYS A 40 13.125 3.675 0.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 14.549 2.473 -1.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.721 4.144 -1.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 15.924 3.279 -0.443 1.00 0.00 H new ATOM 596 N LEU A 41 9.464 6.417 1.149 1.00 0.00 N ATOM 597 CA LEU A 41 8.287 6.742 0.351 1.00 0.00 C ATOM 598 C LEU A 41 7.348 7.667 1.118 1.00 0.00 C ATOM 599 O LEU A 41 6.455 8.283 0.536 1.00 0.00 O ATOM 600 CB LEU A 41 7.548 5.463 -0.048 1.00 0.00 C ATOM 601 CG LEU A 41 8.326 4.487 -0.932 1.00 0.00 C ATOM 602 CD1 LEU A 41 7.567 3.177 -1.076 1.00 0.00 C ATOM 603 CD2 LEU A 41 8.595 5.103 -2.297 1.00 0.00 C ATOM 0 H LEU A 41 9.571 5.424 1.358 1.00 0.00 H new ATOM 0 HA LEU A 41 8.620 7.258 -0.550 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.250 4.941 0.861 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.633 5.743 -0.569 1.00 0.00 H new ATOM 0 HG LEU A 41 9.284 4.278 -0.455 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.135 2.495 -1.708 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.426 2.728 -0.093 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.595 3.368 -1.530 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.149 4.395 -2.913 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.648 5.342 -2.781 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.180 6.014 -2.176 1.00 0.00 H new ATOM 615 N ALA A 42 7.557 7.761 2.427 1.00 0.00 N ATOM 616 CA ALA A 42 6.732 8.615 3.273 1.00 0.00 C ATOM 617 C ALA A 42 7.242 10.052 3.267 1.00 0.00 C ATOM 618 O ALA A 42 6.459 10.999 3.352 1.00 0.00 O ATOM 619 CB ALA A 42 6.695 8.072 4.694 1.00 0.00 C ATOM 0 H ALA A 42 8.290 7.256 2.925 1.00 0.00 H new ATOM 0 HA ALA A 42 5.720 8.615 2.869 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.076 8.719 5.315 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.276 7.066 4.688 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.707 8.042 5.098 1.00 0.00 H new ATOM 625 N LEU A 43 8.557 10.207 3.167 1.00 0.00 N ATOM 626 CA LEU A 43 9.172 11.530 3.150 1.00 0.00 C ATOM 627 C LEU A 43 9.139 12.128 1.747 1.00 0.00 C ATOM 628 O LEU A 43 9.247 13.342 1.575 1.00 0.00 O ATOM 629 CB LEU A 43 10.616 11.450 3.648 1.00 0.00 C ATOM 630 CG LEU A 43 10.796 11.275 5.157 1.00 0.00 C ATOM 631 CD1 LEU A 43 10.891 12.629 5.843 1.00 0.00 C ATOM 632 CD2 LEU A 43 9.652 10.459 5.740 1.00 0.00 C ATOM 0 H LEU A 43 9.218 9.434 3.096 1.00 0.00 H new ATOM 0 HA LEU A 43 8.600 12.177 3.815 1.00 0.00 H new ATOM 0 HB2 LEU A 43 11.107 10.617 3.145 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.135 12.358 3.343 1.00 0.00 H new ATOM 0 HG LEU A 43 11.727 10.735 5.332 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.019 12.485 6.916 1.00 0.00 H new ATOM 0 HD12 LEU A 43 11.745 13.179 5.446 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.978 13.195 5.659 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.797 10.345 6.814 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.708 10.971 5.554 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.630 9.476 5.270 1.00 0.00 H new ATOM 644 N LYS A 44 8.986 11.268 0.746 1.00 0.00 N ATOM 645 CA LYS A 44 8.935 11.709 -0.643 1.00 0.00 C ATOM 646 C LYS A 44 7.527 12.159 -1.019 1.00 0.00 C ATOM 647 O LYS A 44 7.342 13.224 -1.609 1.00 0.00 O ATOM 648 CB LYS A 44 9.388 10.583 -1.575 1.00 0.00 C ATOM 649 CG LYS A 44 9.309 10.944 -3.048 1.00 0.00 C ATOM 650 CD LYS A 44 9.101 9.713 -3.913 1.00 0.00 C ATOM 651 CE LYS A 44 9.905 8.528 -3.399 1.00 0.00 C ATOM 652 NZ LYS A 44 10.237 7.568 -4.488 1.00 0.00 N ATOM 0 H LYS A 44 8.895 10.260 0.871 1.00 0.00 H new ATOM 0 HA LYS A 44 9.611 12.557 -0.754 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.415 10.312 -1.331 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.773 9.702 -1.392 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.490 11.645 -3.208 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.226 11.451 -3.349 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.042 9.455 -3.932 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.393 9.935 -4.939 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.825 8.886 -2.938 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.338 8.014 -2.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 10.785 6.775 -4.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.359 7.206 -4.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.800 8.051 -5.217 1.00 0.00 H new ATOM 666 N TYR A 45 6.538 11.343 -0.673 1.00 0.00 N ATOM 667 CA TYR A 45 5.147 11.657 -0.975 1.00 0.00 C ATOM 668 C TYR A 45 4.544 12.553 0.103 1.00 0.00 C ATOM 669 O TYR A 45 3.324 12.623 0.258 1.00 0.00 O ATOM 670 CB TYR A 45 4.328 10.372 -1.102 1.00 0.00 C ATOM 671 CG TYR A 45 4.612 9.596 -2.368 1.00 0.00 C ATOM 672 CD1 TYR A 45 5.812 8.916 -2.535 1.00 0.00 C ATOM 673 CD2 TYR A 45 3.680 9.543 -3.398 1.00 0.00 C ATOM 674 CE1 TYR A 45 6.076 8.206 -3.691 1.00 0.00 C ATOM 675 CE2 TYR A 45 3.935 8.835 -4.556 1.00 0.00 C ATOM 676 CZ TYR A 45 5.134 8.168 -4.698 1.00 0.00 C ATOM 677 OH TYR A 45 5.393 7.463 -5.851 1.00 0.00 O ATOM 0 H TYR A 45 6.674 10.459 -0.183 1.00 0.00 H new ATOM 0 HA TYR A 45 5.120 12.192 -1.924 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.532 9.735 -0.242 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.268 10.622 -1.069 1.00 0.00 H new ATOM 0 HD1 TYR A 45 6.551 8.943 -1.748 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.740 10.064 -3.291 1.00 0.00 H new ATOM 0 HE1 TYR A 45 7.014 7.684 -3.805 1.00 0.00 H new ATOM 0 HE2 TYR A 45 3.200 8.804 -5.346 1.00 0.00 H new ATOM 0 HH TYR A 45 4.627 7.536 -6.458 1.00 0.00 H new ATOM 687 N HIS A 46 5.408 13.238 0.845 1.00 0.00 N ATOM 688 CA HIS A 46 4.962 14.132 1.908 1.00 0.00 C ATOM 689 C HIS A 46 4.079 15.244 1.349 1.00 0.00 C ATOM 690 O HIS A 46 4.371 15.839 0.312 1.00 0.00 O ATOM 691 CB HIS A 46 6.165 14.735 2.634 1.00 0.00 C ATOM 692 CG HIS A 46 5.896 15.060 4.071 1.00 0.00 C ATOM 693 ND1 HIS A 46 5.595 16.332 4.512 1.00 0.00 N ATOM 694 CD2 HIS A 46 5.883 14.270 5.170 1.00 0.00 C ATOM 695 CE1 HIS A 46 5.410 16.310 5.819 1.00 0.00 C ATOM 696 NE2 HIS A 46 5.578 15.071 6.243 1.00 0.00 N ATOM 0 H HIS A 46 6.420 13.191 0.730 1.00 0.00 H new ATOM 0 HA HIS A 46 4.375 13.549 2.617 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.000 14.037 2.578 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.474 15.643 2.116 1.00 0.00 H new ATOM 0 HD2 HIS A 46 6.076 13.208 5.198 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.163 17.161 6.436 1.00 0.00 H new ATOM 0 HE2 HIS A 46 5.495 14.759 7.211 1.00 0.00 H new ATOM 704 N PRO A 47 2.973 15.532 2.051 1.00 0.00 N ATOM 705 CA PRO A 47 2.026 16.573 1.643 1.00 0.00 C ATOM 706 C PRO A 47 2.605 17.976 1.795 1.00 0.00 C ATOM 707 O PRO A 47 2.010 18.955 1.346 1.00 0.00 O ATOM 708 CB PRO A 47 0.848 16.375 2.600 1.00 0.00 C ATOM 709 CG PRO A 47 1.441 15.728 3.803 1.00 0.00 C ATOM 710 CD PRO A 47 2.563 14.863 3.297 1.00 0.00 C ATOM 0 HA PRO A 47 1.757 16.489 0.590 1.00 0.00 H new ATOM 0 HB2 PRO A 47 0.379 17.326 2.853 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.076 15.748 2.153 1.00 0.00 H new ATOM 0 HG2 PRO A 47 1.810 16.475 4.506 1.00 0.00 H new ATOM 0 HG3 PRO A 47 0.697 15.132 4.332 1.00 0.00 H new ATOM 0 HD2 PRO A 47 3.383 14.809 4.013 1.00 0.00 H new ATOM 0 HD3 PRO A 47 2.232 13.841 3.114 1.00 0.00 H new ATOM 718 N ASP A 48 3.769 18.064 2.429 1.00 0.00 N ATOM 719 CA ASP A 48 4.430 19.347 2.638 1.00 0.00 C ATOM 720 C ASP A 48 5.468 19.607 1.551 1.00 0.00 C ATOM 721 O ASP A 48 5.885 20.746 1.335 1.00 0.00 O ATOM 722 CB ASP A 48 5.096 19.384 4.015 1.00 0.00 C ATOM 723 CG ASP A 48 5.356 20.798 4.495 1.00 0.00 C ATOM 724 OD1 ASP A 48 4.375 21.541 4.713 1.00 0.00 O ATOM 725 OD2 ASP A 48 6.539 21.162 4.653 1.00 0.00 O ATOM 0 H ASP A 48 4.274 17.263 2.807 1.00 0.00 H new ATOM 0 HA ASP A 48 3.673 20.130 2.588 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.461 18.870 4.736 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.039 18.838 3.974 1.00 0.00 H new ATOM 730 N LYS A 49 5.882 18.545 0.869 1.00 0.00 N ATOM 731 CA LYS A 49 6.871 18.657 -0.197 1.00 0.00 C ATOM 732 C LYS A 49 6.194 18.747 -1.560 1.00 0.00 C ATOM 733 O LYS A 49 6.660 19.458 -2.449 1.00 0.00 O ATOM 734 CB LYS A 49 7.822 17.458 -0.166 1.00 0.00 C ATOM 735 CG LYS A 49 8.378 17.158 1.215 1.00 0.00 C ATOM 736 CD LYS A 49 9.671 17.913 1.472 1.00 0.00 C ATOM 737 CE LYS A 49 9.404 19.351 1.890 1.00 0.00 C ATOM 738 NZ LYS A 49 10.608 19.986 2.495 1.00 0.00 N ATOM 0 H LYS A 49 5.548 17.596 1.035 1.00 0.00 H new ATOM 0 HA LYS A 49 7.442 19.571 -0.034 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.296 16.578 -0.536 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.650 17.644 -0.849 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.641 17.429 1.971 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.556 16.087 1.312 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.240 17.406 2.251 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.285 17.903 0.571 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.087 19.928 1.022 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.583 19.374 2.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.385 20.965 2.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.896 19.450 3.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.385 19.987 1.803 1.00 0.00 H new ATOM 752 N ASN A 50 5.090 18.023 -1.717 1.00 0.00 N ATOM 753 CA ASN A 50 4.349 18.022 -2.973 1.00 0.00 C ATOM 754 C ASN A 50 3.600 19.338 -3.163 1.00 0.00 C ATOM 755 O ASN A 50 2.707 19.690 -2.391 1.00 0.00 O ATOM 756 CB ASN A 50 3.363 16.852 -3.006 1.00 0.00 C ATOM 757 CG ASN A 50 3.847 15.666 -2.196 1.00 0.00 C ATOM 758 OD1 ASN A 50 3.047 14.898 -1.661 1.00 0.00 O ATOM 759 ND2 ASN A 50 5.162 15.511 -2.101 1.00 0.00 N ATOM 0 H ASN A 50 4.689 17.430 -0.990 1.00 0.00 H new ATOM 0 HA ASN A 50 5.064 17.910 -3.788 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.398 17.182 -2.621 1.00 0.00 H new ATOM 0 HB3 ASN A 50 3.205 16.543 -4.039 1.00 0.00 H new ATOM 0 HD21 ASN A 50 5.546 14.731 -1.568 1.00 0.00 H new ATOM 0 HD22 ASN A 50 5.788 16.172 -2.561 1.00 0.00 H new ATOM 766 N PRO A 51 3.970 20.083 -4.215 1.00 0.00 N ATOM 767 CA PRO A 51 3.346 21.370 -4.532 1.00 0.00 C ATOM 768 C PRO A 51 1.911 21.214 -5.024 1.00 0.00 C ATOM 769 O PRO A 51 1.674 20.946 -6.202 1.00 0.00 O ATOM 770 CB PRO A 51 4.234 21.931 -5.646 1.00 0.00 C ATOM 771 CG PRO A 51 4.849 20.731 -6.280 1.00 0.00 C ATOM 772 CD PRO A 51 5.026 19.725 -5.177 1.00 0.00 C ATOM 0 HA PRO A 51 3.278 22.015 -3.656 1.00 0.00 H new ATOM 0 HB2 PRO A 51 3.651 22.504 -6.366 1.00 0.00 H new ATOM 0 HB3 PRO A 51 4.995 22.601 -5.246 1.00 0.00 H new ATOM 0 HG2 PRO A 51 4.210 20.336 -7.070 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.806 20.979 -6.739 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.908 18.704 -5.541 1.00 0.00 H new ATOM 0 HD3 PRO A 51 6.017 19.791 -4.728 1.00 0.00 H new ATOM 780 N ASP A 52 0.957 21.382 -4.114 1.00 0.00 N ATOM 781 CA ASP A 52 -0.455 21.261 -4.456 1.00 0.00 C ATOM 782 C ASP A 52 -0.695 20.051 -5.354 1.00 0.00 C ATOM 783 O ASP A 52 -1.589 20.061 -6.199 1.00 0.00 O ATOM 784 CB ASP A 52 -0.945 22.533 -5.151 1.00 0.00 C ATOM 785 CG ASP A 52 -1.274 23.639 -4.168 1.00 0.00 C ATOM 786 OD1 ASP A 52 -2.091 23.398 -3.255 1.00 0.00 O ATOM 787 OD2 ASP A 52 -0.714 24.747 -4.312 1.00 0.00 O ATOM 0 H ASP A 52 1.136 21.602 -3.134 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.016 21.122 -3.532 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -0.180 22.883 -5.844 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.830 22.302 -5.743 1.00 0.00 H new ATOM 792 N ASN A 53 0.111 19.012 -5.166 1.00 0.00 N ATOM 793 CA ASN A 53 -0.013 17.795 -5.960 1.00 0.00 C ATOM 794 C ASN A 53 -1.113 16.894 -5.408 1.00 0.00 C ATOM 795 O ASN A 53 -1.015 16.356 -4.305 1.00 0.00 O ATOM 796 CB ASN A 53 1.317 17.039 -5.983 1.00 0.00 C ATOM 797 CG ASN A 53 1.518 16.261 -7.269 1.00 0.00 C ATOM 798 OD1 ASN A 53 0.961 16.607 -8.311 1.00 0.00 O ATOM 799 ND2 ASN A 53 2.317 15.202 -7.201 1.00 0.00 N ATOM 0 H ASN A 53 0.857 18.988 -4.471 1.00 0.00 H new ATOM 0 HA ASN A 53 -0.279 18.081 -6.978 1.00 0.00 H new ATOM 0 HB2 ASN A 53 2.136 17.747 -5.858 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.357 16.353 -5.137 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.490 14.639 -8.034 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.758 14.952 -6.316 1.00 0.00 H new ATOM 806 N PRO A 54 -2.188 16.724 -6.192 1.00 0.00 N ATOM 807 CA PRO A 54 -3.328 15.888 -5.803 1.00 0.00 C ATOM 808 C PRO A 54 -2.980 14.404 -5.791 1.00 0.00 C ATOM 809 O PRO A 54 -3.233 13.706 -4.809 1.00 0.00 O ATOM 810 CB PRO A 54 -4.370 16.184 -6.884 1.00 0.00 C ATOM 811 CG PRO A 54 -3.576 16.618 -8.068 1.00 0.00 C ATOM 812 CD PRO A 54 -2.373 17.335 -7.519 1.00 0.00 C ATOM 0 HA PRO A 54 -3.669 16.108 -4.791 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.967 15.301 -7.110 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -5.062 16.963 -6.564 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -3.278 15.762 -8.673 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.162 17.274 -8.711 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -1.497 17.193 -8.152 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.544 18.409 -7.447 1.00 0.00 H new ATOM 820 N GLU A 55 -2.398 13.928 -6.887 1.00 0.00 N ATOM 821 CA GLU A 55 -2.016 12.525 -7.001 1.00 0.00 C ATOM 822 C GLU A 55 -1.138 12.103 -5.826 1.00 0.00 C ATOM 823 O GLU A 55 -1.161 10.947 -5.405 1.00 0.00 O ATOM 824 CB GLU A 55 -1.277 12.280 -8.318 1.00 0.00 C ATOM 825 CG GLU A 55 0.114 12.888 -8.358 1.00 0.00 C ATOM 826 CD GLU A 55 0.122 14.287 -8.944 1.00 0.00 C ATOM 827 OE1 GLU A 55 -0.830 15.048 -8.673 1.00 0.00 O ATOM 828 OE2 GLU A 55 1.080 14.620 -9.672 1.00 0.00 O ATOM 0 H GLU A 55 -2.181 14.493 -7.708 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.926 11.925 -6.986 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.200 11.206 -8.487 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.867 12.690 -9.138 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.522 12.919 -7.348 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.770 12.247 -8.947 1.00 0.00 H new ATOM 835 N ALA A 56 -0.365 13.049 -5.304 1.00 0.00 N ATOM 836 CA ALA A 56 0.520 12.776 -4.178 1.00 0.00 C ATOM 837 C ALA A 56 -0.276 12.393 -2.935 1.00 0.00 C ATOM 838 O ALA A 56 0.121 11.505 -2.182 1.00 0.00 O ATOM 839 CB ALA A 56 1.398 13.985 -3.892 1.00 0.00 C ATOM 0 H ALA A 56 -0.333 14.011 -5.642 1.00 0.00 H new ATOM 0 HA ALA A 56 1.157 11.933 -4.444 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.054 13.767 -3.049 1.00 0.00 H new ATOM 0 HB2 ALA A 56 2.001 14.213 -4.771 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.769 14.842 -3.651 1.00 0.00 H new ATOM 845 N ALA A 57 -1.401 13.070 -2.726 1.00 0.00 N ATOM 846 CA ALA A 57 -2.253 12.799 -1.575 1.00 0.00 C ATOM 847 C ALA A 57 -2.826 11.387 -1.636 1.00 0.00 C ATOM 848 O ALA A 57 -2.894 10.690 -0.624 1.00 0.00 O ATOM 849 CB ALA A 57 -3.375 13.824 -1.496 1.00 0.00 C ATOM 0 H ALA A 57 -1.743 13.810 -3.339 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.642 12.876 -0.676 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.004 13.609 -0.632 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.949 14.822 -1.396 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.977 13.775 -2.403 1.00 0.00 H new ATOM 855 N ASP A 58 -3.239 10.973 -2.829 1.00 0.00 N ATOM 856 CA ASP A 58 -3.807 9.644 -3.023 1.00 0.00 C ATOM 857 C ASP A 58 -2.750 8.565 -2.807 1.00 0.00 C ATOM 858 O ASP A 58 -2.969 7.605 -2.068 1.00 0.00 O ATOM 859 CB ASP A 58 -4.402 9.520 -4.426 1.00 0.00 C ATOM 860 CG ASP A 58 -5.037 8.164 -4.668 1.00 0.00 C ATOM 861 OD1 ASP A 58 -5.650 7.620 -3.726 1.00 0.00 O ATOM 862 OD2 ASP A 58 -4.921 7.648 -5.799 1.00 0.00 O ATOM 0 H ASP A 58 -3.191 11.539 -3.676 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.599 9.503 -2.288 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.150 10.299 -4.570 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.619 9.689 -5.166 1.00 0.00 H new ATOM 867 N LYS A 59 -1.603 8.729 -3.458 1.00 0.00 N ATOM 868 CA LYS A 59 -0.512 7.770 -3.339 1.00 0.00 C ATOM 869 C LYS A 59 -0.065 7.632 -1.887 1.00 0.00 C ATOM 870 O LYS A 59 -0.042 6.531 -1.336 1.00 0.00 O ATOM 871 CB LYS A 59 0.671 8.202 -4.208 1.00 0.00 C ATOM 872 CG LYS A 59 0.557 7.756 -5.656 1.00 0.00 C ATOM 873 CD LYS A 59 1.012 6.317 -5.835 1.00 0.00 C ATOM 874 CE LYS A 59 0.785 5.834 -7.259 1.00 0.00 C ATOM 875 NZ LYS A 59 -0.639 5.472 -7.502 1.00 0.00 N ATOM 0 H LYS A 59 -1.405 9.518 -4.074 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.874 6.801 -3.683 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.756 9.288 -4.177 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.590 7.798 -3.783 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.477 7.855 -5.988 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.159 8.410 -6.287 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.070 6.235 -5.586 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.471 5.674 -5.141 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.086 6.613 -7.959 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.418 4.968 -7.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.752 5.148 -8.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.920 4.711 -6.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.241 6.304 -7.341 1.00 0.00 H new ATOM 889 N PHE A 60 0.289 8.756 -1.272 1.00 0.00 N ATOM 890 CA PHE A 60 0.734 8.760 0.117 1.00 0.00 C ATOM 891 C PHE A 60 -0.193 7.917 0.988 1.00 0.00 C ATOM 892 O PHE A 60 0.257 7.197 1.878 1.00 0.00 O ATOM 893 CB PHE A 60 0.793 10.192 0.651 1.00 0.00 C ATOM 894 CG PHE A 60 1.331 10.289 2.050 1.00 0.00 C ATOM 895 CD1 PHE A 60 2.626 9.889 2.337 1.00 0.00 C ATOM 896 CD2 PHE A 60 0.542 10.779 3.078 1.00 0.00 C ATOM 897 CE1 PHE A 60 3.124 9.976 3.623 1.00 0.00 C ATOM 898 CE2 PHE A 60 1.034 10.869 4.366 1.00 0.00 C ATOM 899 CZ PHE A 60 2.327 10.467 4.639 1.00 0.00 C ATOM 0 H PHE A 60 0.276 9.675 -1.713 1.00 0.00 H new ATOM 0 HA PHE A 60 1.733 8.325 0.154 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.416 10.793 -0.012 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.208 10.623 0.625 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.254 9.505 1.546 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.470 11.094 2.870 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.135 9.661 3.834 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.408 11.253 5.158 1.00 0.00 H new ATOM 0 HZ PHE A 60 2.714 10.536 5.645 1.00 0.00 H new ATOM 909 N LYS A 61 -1.492 8.014 0.725 1.00 0.00 N ATOM 910 CA LYS A 61 -2.485 7.262 1.482 1.00 0.00 C ATOM 911 C LYS A 61 -2.240 5.761 1.360 1.00 0.00 C ATOM 912 O LYS A 61 -2.403 5.017 2.326 1.00 0.00 O ATOM 913 CB LYS A 61 -3.895 7.601 0.993 1.00 0.00 C ATOM 914 CG LYS A 61 -4.992 7.147 1.939 1.00 0.00 C ATOM 915 CD LYS A 61 -6.368 7.538 1.426 1.00 0.00 C ATOM 916 CE LYS A 61 -6.857 6.576 0.354 1.00 0.00 C ATOM 917 NZ LYS A 61 -8.058 7.099 -0.354 1.00 0.00 N ATOM 0 H LYS A 61 -1.882 8.607 -0.008 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.394 7.543 2.531 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -3.972 8.679 0.851 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.053 7.139 0.018 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.943 6.065 2.062 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.831 7.588 2.923 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.076 7.552 2.255 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.333 8.549 1.020 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.059 6.399 -0.367 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.094 5.614 0.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.360 6.415 -1.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.828 7.244 0.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.825 8.004 -0.810 1.00 0.00 H new ATOM 931 N GLU A 62 -1.847 5.325 0.167 1.00 0.00 N ATOM 932 CA GLU A 62 -1.579 3.913 -0.079 1.00 0.00 C ATOM 933 C GLU A 62 -0.283 3.479 0.598 1.00 0.00 C ATOM 934 O GLU A 62 -0.216 2.411 1.208 1.00 0.00 O ATOM 935 CB GLU A 62 -1.498 3.642 -1.583 1.00 0.00 C ATOM 936 CG GLU A 62 -2.830 3.259 -2.205 1.00 0.00 C ATOM 937 CD GLU A 62 -3.969 4.143 -1.734 1.00 0.00 C ATOM 938 OE1 GLU A 62 -4.550 3.845 -0.670 1.00 0.00 O ATOM 939 OE2 GLU A 62 -4.279 5.132 -2.430 1.00 0.00 O ATOM 0 H GLU A 62 -1.707 5.929 -0.643 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.400 3.334 0.344 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.115 4.531 -2.084 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.780 2.842 -1.761 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.751 3.321 -3.290 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.056 2.221 -1.961 1.00 0.00 H new ATOM 946 N ILE A 63 0.745 4.314 0.486 1.00 0.00 N ATOM 947 CA ILE A 63 2.039 4.017 1.087 1.00 0.00 C ATOM 948 C ILE A 63 1.906 3.774 2.587 1.00 0.00 C ATOM 949 O ILE A 63 2.440 2.802 3.118 1.00 0.00 O ATOM 950 CB ILE A 63 3.045 5.159 0.851 1.00 0.00 C ATOM 951 CG1 ILE A 63 3.055 5.562 -0.625 1.00 0.00 C ATOM 952 CG2 ILE A 63 4.437 4.740 1.300 1.00 0.00 C ATOM 953 CD1 ILE A 63 4.112 6.589 -0.964 1.00 0.00 C ATOM 0 H ILE A 63 0.706 5.201 -0.015 1.00 0.00 H new ATOM 0 HA ILE A 63 2.410 3.112 0.606 1.00 0.00 H new ATOM 0 HB ILE A 63 2.738 6.022 1.442 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.215 4.673 -1.235 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.076 5.959 -0.891 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.137 5.558 1.127 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.419 4.497 2.362 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.754 3.865 0.733 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.061 6.827 -2.026 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.941 7.494 -0.381 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.098 6.187 -0.730 1.00 0.00 H new ATOM 965 N ASN A 64 1.187 4.665 3.263 1.00 0.00 N ATOM 966 CA ASN A 64 0.982 4.547 4.702 1.00 0.00 C ATOM 967 C ASN A 64 0.076 3.363 5.027 1.00 0.00 C ATOM 968 O ASN A 64 0.371 2.569 5.919 1.00 0.00 O ATOM 969 CB ASN A 64 0.375 5.836 5.259 1.00 0.00 C ATOM 970 CG ASN A 64 -1.141 5.812 5.250 1.00 0.00 C ATOM 971 OD1 ASN A 64 -1.764 4.970 5.897 1.00 0.00 O ATOM 972 ND2 ASN A 64 -1.743 6.740 4.514 1.00 0.00 N ATOM 0 H ASN A 64 0.737 5.476 2.838 1.00 0.00 H new ATOM 0 HA ASN A 64 1.952 4.379 5.170 1.00 0.00 H new ATOM 0 HB2 ASN A 64 0.727 5.989 6.279 1.00 0.00 H new ATOM 0 HB3 ASN A 64 0.726 6.684 4.670 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -2.761 6.774 4.469 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -1.187 7.418 3.994 1.00 0.00 H new ATOM 979 N ASN A 65 -1.029 3.252 4.297 1.00 0.00 N ATOM 980 CA ASN A 65 -1.978 2.166 4.507 1.00 0.00 C ATOM 981 C ASN A 65 -1.294 0.810 4.365 1.00 0.00 C ATOM 982 O ASN A 65 -1.247 0.024 5.311 1.00 0.00 O ATOM 983 CB ASN A 65 -3.135 2.272 3.511 1.00 0.00 C ATOM 984 CG ASN A 65 -4.197 1.214 3.743 1.00 0.00 C ATOM 985 OD1 ASN A 65 -4.804 1.152 4.813 1.00 0.00 O ATOM 986 ND2 ASN A 65 -4.425 0.375 2.740 1.00 0.00 N ATOM 0 H ASN A 65 -1.289 3.901 3.555 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.370 2.251 5.520 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.588 3.260 3.588 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.747 2.177 2.497 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -5.127 -0.358 2.838 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.898 0.464 1.871 1.00 0.00 H new ATOM 993 N ALA A 66 -0.763 0.543 3.176 1.00 0.00 N ATOM 994 CA ALA A 66 -0.078 -0.716 2.910 1.00 0.00 C ATOM 995 C ALA A 66 0.932 -1.034 4.008 1.00 0.00 C ATOM 996 O ALA A 66 0.800 -2.031 4.718 1.00 0.00 O ATOM 997 CB ALA A 66 0.610 -0.667 1.554 1.00 0.00 C ATOM 0 H ALA A 66 -0.794 1.182 2.382 1.00 0.00 H new ATOM 0 HA ALA A 66 -0.823 -1.511 2.897 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.117 -1.614 1.369 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.133 -0.495 0.775 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.339 0.143 1.545 1.00 0.00 H new ATOM 1003 N HIS A 67 1.942 -0.180 4.141 1.00 0.00 N ATOM 1004 CA HIS A 67 2.976 -0.371 5.152 1.00 0.00 C ATOM 1005 C HIS A 67 2.366 -0.839 6.470 1.00 0.00 C ATOM 1006 O HIS A 67 2.824 -1.814 7.065 1.00 0.00 O ATOM 1007 CB HIS A 67 3.752 0.928 5.369 1.00 0.00 C ATOM 1008 CG HIS A 67 4.346 1.050 6.738 1.00 0.00 C ATOM 1009 ND1 HIS A 67 3.640 1.521 7.826 1.00 0.00 N ATOM 1010 CD2 HIS A 67 5.586 0.757 7.195 1.00 0.00 C ATOM 1011 CE1 HIS A 67 4.421 1.514 8.891 1.00 0.00 C ATOM 1012 NE2 HIS A 67 5.608 1.055 8.535 1.00 0.00 N ATOM 0 H HIS A 67 2.066 0.650 3.562 1.00 0.00 H new ATOM 0 HA HIS A 67 3.661 -1.140 4.795 1.00 0.00 H new ATOM 0 HB2 HIS A 67 4.550 0.993 4.629 1.00 0.00 H new ATOM 0 HB3 HIS A 67 3.086 1.773 5.195 1.00 0.00 H new ATOM 0 HD2 HIS A 67 6.406 0.362 6.613 1.00 0.00 H new ATOM 0 HE1 HIS A 67 4.138 1.830 9.884 1.00 0.00 H new ATOM 0 HE2 HIS A 67 6.410 0.941 9.155 1.00 0.00 H new ATOM 1020 N ALA A 68 1.332 -0.136 6.921 1.00 0.00 N ATOM 1021 CA ALA A 68 0.660 -0.480 8.168 1.00 0.00 C ATOM 1022 C ALA A 68 0.101 -1.898 8.116 1.00 0.00 C ATOM 1023 O ALA A 68 0.375 -2.715 8.996 1.00 0.00 O ATOM 1024 CB ALA A 68 -0.451 0.517 8.461 1.00 0.00 C ATOM 0 H ALA A 68 0.942 0.675 6.441 1.00 0.00 H new ATOM 0 HA ALA A 68 1.394 -0.436 8.973 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.944 0.248 9.395 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.028 1.518 8.549 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.178 0.501 7.649 1.00 0.00 H new ATOM 1030 N ILE A 69 -0.684 -2.183 7.083 1.00 0.00 N ATOM 1031 CA ILE A 69 -1.281 -3.502 6.918 1.00 0.00 C ATOM 1032 C ILE A 69 -0.216 -4.594 6.938 1.00 0.00 C ATOM 1033 O ILE A 69 -0.417 -5.662 7.516 1.00 0.00 O ATOM 1034 CB ILE A 69 -2.075 -3.600 5.602 1.00 0.00 C ATOM 1035 CG1 ILE A 69 -3.185 -2.548 5.572 1.00 0.00 C ATOM 1036 CG2 ILE A 69 -2.657 -4.996 5.438 1.00 0.00 C ATOM 1037 CD1 ILE A 69 -4.010 -2.576 4.304 1.00 0.00 C ATOM 0 H ILE A 69 -0.922 -1.518 6.347 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.963 -3.647 7.756 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.397 -3.410 4.770 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.843 -2.701 6.427 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.740 -1.559 5.685 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.215 -5.050 4.503 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.849 -5.727 5.421 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -3.324 -5.212 6.272 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -4.778 -1.804 4.352 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.364 -2.392 3.445 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.484 -3.552 4.200 1.00 0.00 H new ATOM 1049 N LEU A 70 0.919 -4.317 6.304 1.00 0.00 N ATOM 1050 CA LEU A 70 2.018 -5.275 6.250 1.00 0.00 C ATOM 1051 C LEU A 70 2.711 -5.385 7.604 1.00 0.00 C ATOM 1052 O LEU A 70 2.670 -6.431 8.252 1.00 0.00 O ATOM 1053 CB LEU A 70 3.029 -4.861 5.179 1.00 0.00 C ATOM 1054 CG LEU A 70 2.531 -4.904 3.734 1.00 0.00 C ATOM 1055 CD1 LEU A 70 3.556 -4.284 2.797 1.00 0.00 C ATOM 1056 CD2 LEU A 70 2.224 -6.336 3.318 1.00 0.00 C ATOM 0 H LEU A 70 1.102 -3.438 5.821 1.00 0.00 H new ATOM 0 HA LEU A 70 1.605 -6.251 5.994 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.364 -3.847 5.397 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.901 -5.509 5.261 1.00 0.00 H new ATOM 0 HG LEU A 70 1.611 -4.322 3.670 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.184 -4.324 1.773 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.727 -3.246 3.081 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.492 -4.838 2.864 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.871 -6.348 2.287 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.128 -6.940 3.399 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.453 -6.747 3.970 1.00 0.00 H new ATOM 1068 N THR A 71 3.347 -4.297 8.028 1.00 0.00 N ATOM 1069 CA THR A 71 4.048 -4.270 9.305 1.00 0.00 C ATOM 1070 C THR A 71 3.186 -4.855 10.418 1.00 0.00 C ATOM 1071 O THR A 71 3.701 -5.335 11.428 1.00 0.00 O ATOM 1072 CB THR A 71 4.460 -2.837 9.690 1.00 0.00 C ATOM 1073 OG1 THR A 71 3.327 -1.965 9.619 1.00 0.00 O ATOM 1074 CG2 THR A 71 5.559 -2.324 8.771 1.00 0.00 C ATOM 0 H THR A 71 3.391 -3.423 7.505 1.00 0.00 H new ATOM 0 HA THR A 71 4.945 -4.878 9.186 1.00 0.00 H new ATOM 0 HB THR A 71 4.841 -2.855 10.711 1.00 0.00 H new ATOM 0 HG1 THR A 71 3.053 -1.859 8.684 1.00 0.00 H new ATOM 0 HG21 THR A 71 5.833 -1.310 9.062 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.431 -2.973 8.850 1.00 0.00 H new ATOM 0 HG23 THR A 71 5.201 -2.321 7.742 1.00 0.00 H new ATOM 1082 N ASP A 72 1.873 -4.813 10.226 1.00 0.00 N ATOM 1083 CA ASP A 72 0.938 -5.341 11.214 1.00 0.00 C ATOM 1084 C ASP A 72 0.691 -6.829 10.986 1.00 0.00 C ATOM 1085 O ASP A 72 0.392 -7.255 9.871 1.00 0.00 O ATOM 1086 CB ASP A 72 -0.385 -4.576 11.155 1.00 0.00 C ATOM 1087 CG ASP A 72 -0.349 -3.294 11.963 1.00 0.00 C ATOM 1088 OD1 ASP A 72 0.750 -2.720 12.116 1.00 0.00 O ATOM 1089 OD2 ASP A 72 -1.419 -2.864 12.443 1.00 0.00 O ATOM 0 H ASP A 72 1.431 -4.419 9.395 1.00 0.00 H new ATOM 0 HA ASP A 72 1.379 -5.211 12.202 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.620 -4.341 10.117 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.187 -5.214 11.527 1.00 0.00 H new ATOM 1094 N ALA A 73 0.817 -7.614 12.051 1.00 0.00 N ATOM 1095 CA ALA A 73 0.606 -9.054 11.968 1.00 0.00 C ATOM 1096 C ALA A 73 -0.823 -9.376 11.545 1.00 0.00 C ATOM 1097 O ALA A 73 -1.068 -9.798 10.414 1.00 0.00 O ATOM 1098 CB ALA A 73 0.925 -9.712 13.302 1.00 0.00 C ATOM 0 H ALA A 73 1.064 -7.277 12.981 1.00 0.00 H new ATOM 0 HA ALA A 73 1.280 -9.452 11.209 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.763 -10.787 13.225 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.966 -9.520 13.563 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.275 -9.301 14.075 1.00 0.00 H new ATOM 1104 N THR A 74 -1.765 -9.175 12.461 1.00 0.00 N ATOM 1105 CA THR A 74 -3.170 -9.446 12.184 1.00 0.00 C ATOM 1106 C THR A 74 -3.545 -9.014 10.771 1.00 0.00 C ATOM 1107 O THR A 74 -3.980 -9.828 9.956 1.00 0.00 O ATOM 1108 CB THR A 74 -4.090 -8.727 13.190 1.00 0.00 C ATOM 1109 OG1 THR A 74 -3.822 -9.192 14.517 1.00 0.00 O ATOM 1110 CG2 THR A 74 -5.554 -8.965 12.850 1.00 0.00 C ATOM 0 H THR A 74 -1.580 -8.825 13.401 1.00 0.00 H new ATOM 0 HA THR A 74 -3.309 -10.523 12.281 1.00 0.00 H new ATOM 0 HB THR A 74 -3.889 -7.657 13.133 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.409 -8.729 15.151 1.00 0.00 H new ATOM 0 HG21 THR A 74 -6.184 -8.448 13.574 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.762 -8.584 11.850 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.766 -10.034 12.882 1.00 0.00 H new ATOM 1118 N LYS A 75 -3.374 -7.728 10.486 1.00 0.00 N ATOM 1119 CA LYS A 75 -3.692 -7.187 9.170 1.00 0.00 C ATOM 1120 C LYS A 75 -3.095 -8.053 8.066 1.00 0.00 C ATOM 1121 O LYS A 75 -3.814 -8.562 7.206 1.00 0.00 O ATOM 1122 CB LYS A 75 -3.171 -5.753 9.046 1.00 0.00 C ATOM 1123 CG LYS A 75 -3.981 -4.741 9.837 1.00 0.00 C ATOM 1124 CD LYS A 75 -5.133 -4.184 9.017 1.00 0.00 C ATOM 1125 CE LYS A 75 -6.217 -3.596 9.907 1.00 0.00 C ATOM 1126 NZ LYS A 75 -6.920 -4.647 10.694 1.00 0.00 N ATOM 0 H LYS A 75 -3.017 -7.040 11.149 1.00 0.00 H new ATOM 0 HA LYS A 75 -4.776 -7.185 9.059 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.135 -5.721 9.384 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.172 -5.465 7.995 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.370 -5.211 10.740 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.333 -3.925 10.157 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.761 -3.416 8.339 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.557 -4.975 8.399 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.773 -2.869 10.587 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.939 -3.058 9.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -7.847 -4.289 11.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.053 -5.492 10.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.351 -4.894 11.529 1.00 0.00 H new ATOM 1140 N ARG A 76 -1.777 -8.218 8.097 1.00 0.00 N ATOM 1141 CA ARG A 76 -1.084 -9.024 7.099 1.00 0.00 C ATOM 1142 C ARG A 76 -1.718 -10.406 6.980 1.00 0.00 C ATOM 1143 O ARG A 76 -1.920 -10.915 5.879 1.00 0.00 O ATOM 1144 CB ARG A 76 0.397 -9.160 7.461 1.00 0.00 C ATOM 1145 CG ARG A 76 1.180 -10.040 6.501 1.00 0.00 C ATOM 1146 CD ARG A 76 1.724 -9.240 5.329 1.00 0.00 C ATOM 1147 NE ARG A 76 3.036 -8.666 5.620 1.00 0.00 N ATOM 1148 CZ ARG A 76 4.136 -9.393 5.784 1.00 0.00 C ATOM 1149 NH1 ARG A 76 4.082 -10.714 5.687 1.00 0.00 N ATOM 1150 NH2 ARG A 76 5.292 -8.799 6.047 1.00 0.00 N ATOM 0 H ARG A 76 -1.167 -7.804 8.802 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.171 -8.519 6.137 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.849 -8.169 7.483 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.480 -9.571 8.467 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.005 -10.516 7.032 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.537 -10.838 6.131 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.796 -9.884 4.453 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.026 -8.441 5.080 1.00 0.00 H new ATOM 0 HE ARG A 76 3.111 -7.652 5.702 1.00 0.00 H new ATOM 0 HH11 ARG A 76 3.194 -11.175 5.486 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.928 -11.270 5.813 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.337 -7.783 6.124 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.136 -9.358 6.173 1.00 0.00 H new ATOM 1164 N ASN A 77 -2.030 -11.009 8.123 1.00 0.00 N ATOM 1165 CA ASN A 77 -2.641 -12.333 8.147 1.00 0.00 C ATOM 1166 C ASN A 77 -3.936 -12.349 7.341 1.00 0.00 C ATOM 1167 O ASN A 77 -4.182 -13.270 6.561 1.00 0.00 O ATOM 1168 CB ASN A 77 -2.919 -12.763 9.589 1.00 0.00 C ATOM 1169 CG ASN A 77 -3.814 -13.985 9.666 1.00 0.00 C ATOM 1170 OD1 ASN A 77 -4.996 -13.882 9.998 1.00 0.00 O ATOM 1171 ND2 ASN A 77 -3.255 -15.149 9.358 1.00 0.00 N ATOM 0 H ASN A 77 -1.870 -10.602 9.044 1.00 0.00 H new ATOM 0 HA ASN A 77 -1.943 -13.036 7.693 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -1.975 -12.976 10.090 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -3.387 -11.939 10.127 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -3.808 -16.005 9.391 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -2.272 -15.187 9.088 1.00 0.00 H new ATOM 1178 N ILE A 78 -4.760 -11.325 7.535 1.00 0.00 N ATOM 1179 CA ILE A 78 -6.029 -11.221 6.825 1.00 0.00 C ATOM 1180 C ILE A 78 -5.811 -11.159 5.317 1.00 0.00 C ATOM 1181 O ILE A 78 -6.478 -11.859 4.554 1.00 0.00 O ATOM 1182 CB ILE A 78 -6.823 -9.978 7.270 1.00 0.00 C ATOM 1183 CG1 ILE A 78 -7.262 -10.122 8.728 1.00 0.00 C ATOM 1184 CG2 ILE A 78 -8.028 -9.769 6.366 1.00 0.00 C ATOM 1185 CD1 ILE A 78 -7.618 -8.806 9.384 1.00 0.00 C ATOM 0 H ILE A 78 -4.572 -10.556 8.178 1.00 0.00 H new ATOM 0 HA ILE A 78 -6.603 -12.115 7.070 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.177 -9.104 7.190 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -8.124 -10.787 8.776 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.461 -10.597 9.295 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -8.579 -8.887 6.693 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -7.692 -9.627 5.339 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -8.678 -10.643 6.418 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.920 -8.984 10.416 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.751 -8.145 9.368 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.440 -8.339 8.841 1.00 0.00 H new ATOM 1197 N TYR A 79 -4.874 -10.318 4.894 1.00 0.00 N ATOM 1198 CA TYR A 79 -4.568 -10.164 3.477 1.00 0.00 C ATOM 1199 C TYR A 79 -3.917 -11.426 2.920 1.00 0.00 C ATOM 1200 O TYR A 79 -3.903 -11.648 1.709 1.00 0.00 O ATOM 1201 CB TYR A 79 -3.646 -8.963 3.261 1.00 0.00 C ATOM 1202 CG TYR A 79 -3.621 -8.468 1.832 1.00 0.00 C ATOM 1203 CD1 TYR A 79 -4.681 -7.735 1.312 1.00 0.00 C ATOM 1204 CD2 TYR A 79 -2.539 -8.734 1.002 1.00 0.00 C ATOM 1205 CE1 TYR A 79 -4.664 -7.281 0.007 1.00 0.00 C ATOM 1206 CE2 TYR A 79 -2.513 -8.283 -0.303 1.00 0.00 C ATOM 1207 CZ TYR A 79 -3.577 -7.557 -0.796 1.00 0.00 C ATOM 1208 OH TYR A 79 -3.555 -7.108 -2.096 1.00 0.00 O ATOM 0 H TYR A 79 -4.313 -9.732 5.513 1.00 0.00 H new ATOM 0 HA TYR A 79 -5.504 -9.995 2.945 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -3.964 -8.149 3.913 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -2.634 -9.234 3.561 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -5.533 -7.516 1.939 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -1.704 -9.303 1.384 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -5.497 -6.714 -0.382 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -1.664 -8.498 -0.934 1.00 0.00 H new ATOM 0 HH TYR A 79 -2.719 -7.386 -2.524 1.00 0.00 H new ATOM 1218 N ASP A 80 -3.380 -12.251 3.812 1.00 0.00 N ATOM 1219 CA ASP A 80 -2.729 -13.492 3.411 1.00 0.00 C ATOM 1220 C ASP A 80 -3.762 -14.565 3.079 1.00 0.00 C ATOM 1221 O ASP A 80 -3.687 -15.212 2.034 1.00 0.00 O ATOM 1222 CB ASP A 80 -1.801 -13.988 4.521 1.00 0.00 C ATOM 1223 CG ASP A 80 -0.500 -13.211 4.577 1.00 0.00 C ATOM 1224 OD1 ASP A 80 -0.508 -12.014 4.224 1.00 0.00 O ATOM 1225 OD2 ASP A 80 0.527 -13.802 4.973 1.00 0.00 O ATOM 0 H ASP A 80 -3.383 -12.082 4.818 1.00 0.00 H new ATOM 0 HA ASP A 80 -2.139 -13.291 2.517 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.311 -13.907 5.481 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.584 -15.045 4.364 1.00 0.00 H new ATOM 1230 N LYS A 81 -4.725 -14.749 3.975 1.00 0.00 N ATOM 1231 CA LYS A 81 -5.774 -15.743 3.778 1.00 0.00 C ATOM 1232 C LYS A 81 -6.946 -15.150 3.003 1.00 0.00 C ATOM 1233 O LYS A 81 -7.430 -15.745 2.039 1.00 0.00 O ATOM 1234 CB LYS A 81 -6.259 -16.277 5.128 1.00 0.00 C ATOM 1235 CG LYS A 81 -5.403 -17.403 5.680 1.00 0.00 C ATOM 1236 CD LYS A 81 -5.927 -17.898 7.018 1.00 0.00 C ATOM 1237 CE LYS A 81 -7.185 -18.735 6.848 1.00 0.00 C ATOM 1238 NZ LYS A 81 -6.870 -20.177 6.651 1.00 0.00 N ATOM 0 H LYS A 81 -4.801 -14.223 4.845 1.00 0.00 H new ATOM 0 HA LYS A 81 -5.356 -16.566 3.198 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.276 -15.459 5.848 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.285 -16.630 5.022 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -5.383 -18.228 4.968 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -4.376 -17.057 5.796 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.159 -18.491 7.514 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -6.140 -17.046 7.664 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -7.820 -18.619 7.726 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -7.753 -18.367 5.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -7.754 -20.713 6.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -6.285 -20.291 5.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -6.350 -20.535 7.478 1.00 0.00 H new ATOM 1252 N TYR A 82 -7.398 -13.976 3.429 1.00 0.00 N ATOM 1253 CA TYR A 82 -8.514 -13.304 2.775 1.00 0.00 C ATOM 1254 C TYR A 82 -8.029 -12.460 1.600 1.00 0.00 C ATOM 1255 O TYR A 82 -8.224 -12.820 0.440 1.00 0.00 O ATOM 1256 CB TYR A 82 -9.263 -12.422 3.775 1.00 0.00 C ATOM 1257 CG TYR A 82 -9.726 -13.165 5.009 1.00 0.00 C ATOM 1258 CD1 TYR A 82 -8.828 -13.521 6.007 1.00 0.00 C ATOM 1259 CD2 TYR A 82 -11.061 -13.509 5.175 1.00 0.00 C ATOM 1260 CE1 TYR A 82 -9.246 -14.200 7.135 1.00 0.00 C ATOM 1261 CE2 TYR A 82 -11.489 -14.187 6.301 1.00 0.00 C ATOM 1262 CZ TYR A 82 -10.578 -14.530 7.277 1.00 0.00 C ATOM 1263 OH TYR A 82 -10.999 -15.206 8.400 1.00 0.00 O ATOM 0 H TYR A 82 -7.009 -13.470 4.224 1.00 0.00 H new ATOM 0 HA TYR A 82 -9.192 -14.068 2.395 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -8.615 -11.600 4.078 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -10.128 -11.981 3.281 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.785 -13.262 5.899 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -11.777 -13.242 4.412 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -8.534 -14.471 7.901 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -12.531 -14.446 6.415 1.00 0.00 H new ATOM 0 HH TYR A 82 -11.027 -14.590 9.161 1.00 0.00 H new ATOM 1273 N GLY A 83 -7.395 -11.333 1.911 1.00 0.00 N ATOM 1274 CA GLY A 83 -6.890 -10.455 0.871 1.00 0.00 C ATOM 1275 C GLY A 83 -7.542 -9.086 0.903 1.00 0.00 C ATOM 1276 O GLY A 83 -7.993 -8.630 1.953 1.00 0.00 O ATOM 0 H GLY A 83 -7.222 -11.013 2.864 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -5.812 -10.344 0.985 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.062 -10.914 -0.103 1.00 0.00 H new ATOM 1280 N SER A 84 -7.589 -8.429 -0.252 1.00 0.00 N ATOM 1281 CA SER A 84 -8.185 -7.102 -0.351 1.00 0.00 C ATOM 1282 C SER A 84 -9.617 -7.108 0.175 1.00 0.00 C ATOM 1283 O SER A 84 -10.028 -6.203 0.902 1.00 0.00 O ATOM 1284 CB SER A 84 -8.165 -6.618 -1.803 1.00 0.00 C ATOM 1285 OG SER A 84 -9.007 -7.416 -2.617 1.00 0.00 O ATOM 0 H SER A 84 -7.222 -8.794 -1.131 1.00 0.00 H new ATOM 0 HA SER A 84 -7.595 -6.420 0.261 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.489 -5.578 -1.848 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.145 -6.651 -2.187 1.00 0.00 H new ATOM 0 HG SER A 84 -8.979 -7.086 -3.539 1.00 0.00 H new ATOM 1291 N LEU A 85 -10.373 -8.135 -0.198 1.00 0.00 N ATOM 1292 CA LEU A 85 -11.760 -8.261 0.235 1.00 0.00 C ATOM 1293 C LEU A 85 -11.849 -8.364 1.754 1.00 0.00 C ATOM 1294 O LEU A 85 -12.586 -7.616 2.395 1.00 0.00 O ATOM 1295 CB LEU A 85 -12.407 -9.489 -0.409 1.00 0.00 C ATOM 1296 CG LEU A 85 -13.934 -9.482 -0.483 1.00 0.00 C ATOM 1297 CD1 LEU A 85 -14.410 -8.596 -1.623 1.00 0.00 C ATOM 1298 CD2 LEU A 85 -14.466 -10.899 -0.647 1.00 0.00 C ATOM 0 H LEU A 85 -10.049 -8.892 -0.799 1.00 0.00 H new ATOM 0 HA LEU A 85 -12.296 -7.367 -0.083 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -12.015 -9.593 -1.421 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -12.094 -10.373 0.147 1.00 0.00 H new ATOM 0 HG LEU A 85 -14.322 -9.075 0.451 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -15.499 -8.604 -1.660 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -14.060 -7.576 -1.462 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -14.013 -8.972 -2.566 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -15.555 -10.875 -0.698 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -14.069 -11.333 -1.565 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -14.156 -11.505 0.204 1.00 0.00 H new ATOM 1310 N GLY A 86 -11.090 -9.295 2.325 1.00 0.00 N ATOM 1311 CA GLY A 86 -11.096 -9.477 3.765 1.00 0.00 C ATOM 1312 C GLY A 86 -10.924 -8.171 4.515 1.00 0.00 C ATOM 1313 O GLY A 86 -11.559 -7.952 5.547 1.00 0.00 O ATOM 0 H GLY A 86 -10.471 -9.926 1.816 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -12.034 -9.944 4.065 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -10.295 -10.161 4.045 1.00 0.00 H new ATOM 1317 N LEU A 87 -10.063 -7.303 3.997 1.00 0.00 N ATOM 1318 CA LEU A 87 -9.807 -6.011 4.626 1.00 0.00 C ATOM 1319 C LEU A 87 -11.017 -5.091 4.492 1.00 0.00 C ATOM 1320 O LEU A 87 -11.365 -4.367 5.424 1.00 0.00 O ATOM 1321 CB LEU A 87 -8.578 -5.351 3.999 1.00 0.00 C ATOM 1322 CG LEU A 87 -7.237 -6.032 4.274 1.00 0.00 C ATOM 1323 CD1 LEU A 87 -6.114 -5.315 3.542 1.00 0.00 C ATOM 1324 CD2 LEU A 87 -6.958 -6.076 5.770 1.00 0.00 C ATOM 0 H LEU A 87 -9.530 -7.469 3.143 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.619 -6.181 5.686 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.725 -5.306 2.920 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.521 -4.323 4.356 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.289 -7.056 3.904 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.167 -5.814 3.750 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.307 -5.336 2.469 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.061 -4.280 3.881 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.000 -6.564 5.947 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.926 -5.060 6.164 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.748 -6.635 6.271 1.00 0.00 H new ATOM 1336 N TYR A 88 -11.654 -5.127 3.327 1.00 0.00 N ATOM 1337 CA TYR A 88 -12.825 -4.297 3.070 1.00 0.00 C ATOM 1338 C TYR A 88 -13.936 -4.597 4.071 1.00 0.00 C ATOM 1339 O TYR A 88 -14.577 -3.687 4.598 1.00 0.00 O ATOM 1340 CB TYR A 88 -13.333 -4.521 1.645 1.00 0.00 C ATOM 1341 CG TYR A 88 -14.817 -4.283 1.487 1.00 0.00 C ATOM 1342 CD1 TYR A 88 -15.377 -3.044 1.776 1.00 0.00 C ATOM 1343 CD2 TYR A 88 -15.661 -5.296 1.047 1.00 0.00 C ATOM 1344 CE1 TYR A 88 -16.733 -2.822 1.633 1.00 0.00 C ATOM 1345 CE2 TYR A 88 -17.018 -5.082 0.900 1.00 0.00 C ATOM 1346 CZ TYR A 88 -17.549 -3.844 1.195 1.00 0.00 C ATOM 1347 OH TYR A 88 -18.900 -3.626 1.050 1.00 0.00 O ATOM 0 H TYR A 88 -11.379 -5.722 2.545 1.00 0.00 H new ATOM 0 HA TYR A 88 -12.531 -3.254 3.183 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -12.793 -3.859 0.968 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -13.103 -5.543 1.343 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -14.741 -2.241 2.118 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -15.249 -6.267 0.816 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -17.152 -1.853 1.863 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -17.659 -5.880 0.556 1.00 0.00 H new ATOM 0 HH TYR A 88 -19.331 -4.446 0.732 1.00 0.00 H new ATOM 1357 N VAL A 89 -14.159 -5.882 4.330 1.00 0.00 N ATOM 1358 CA VAL A 89 -15.191 -6.305 5.270 1.00 0.00 C ATOM 1359 C VAL A 89 -14.744 -6.090 6.711 1.00 0.00 C ATOM 1360 O VAL A 89 -15.530 -5.671 7.560 1.00 0.00 O ATOM 1361 CB VAL A 89 -15.555 -7.789 5.073 1.00 0.00 C ATOM 1362 CG1 VAL A 89 -16.584 -8.227 6.103 1.00 0.00 C ATOM 1363 CG2 VAL A 89 -16.067 -8.028 3.661 1.00 0.00 C ATOM 0 H VAL A 89 -13.639 -6.648 3.902 1.00 0.00 H new ATOM 0 HA VAL A 89 -16.071 -5.693 5.071 1.00 0.00 H new ATOM 0 HB VAL A 89 -14.656 -8.388 5.215 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -16.829 -9.278 5.948 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -16.176 -8.093 7.105 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -17.486 -7.625 5.995 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -16.319 -9.081 3.539 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -16.955 -7.420 3.488 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -15.294 -7.755 2.943 1.00 0.00 H new ATOM 1373 N ALA A 90 -13.475 -6.379 6.981 1.00 0.00 N ATOM 1374 CA ALA A 90 -12.921 -6.214 8.319 1.00 0.00 C ATOM 1375 C ALA A 90 -12.925 -4.748 8.738 1.00 0.00 C ATOM 1376 O ALA A 90 -12.959 -4.434 9.927 1.00 0.00 O ATOM 1377 CB ALA A 90 -11.510 -6.780 8.380 1.00 0.00 C ATOM 0 H ALA A 90 -12.811 -6.729 6.290 1.00 0.00 H new ATOM 0 HA ALA A 90 -13.551 -6.765 9.017 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -11.109 -6.650 9.385 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -11.533 -7.841 8.133 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -10.876 -6.255 7.666 1.00 0.00 H new ATOM 1383 N GLU A 91 -12.888 -3.856 7.753 1.00 0.00 N ATOM 1384 CA GLU A 91 -12.885 -2.423 8.022 1.00 0.00 C ATOM 1385 C GLU A 91 -14.308 -1.898 8.194 1.00 0.00 C ATOM 1386 O GLU A 91 -14.569 -1.056 9.051 1.00 0.00 O ATOM 1387 CB GLU A 91 -12.186 -1.670 6.888 1.00 0.00 C ATOM 1388 CG GLU A 91 -11.705 -0.284 7.282 1.00 0.00 C ATOM 1389 CD GLU A 91 -10.796 -0.305 8.496 1.00 0.00 C ATOM 1390 OE1 GLU A 91 -9.571 -0.467 8.316 1.00 0.00 O ATOM 1391 OE2 GLU A 91 -11.309 -0.161 9.625 1.00 0.00 O ATOM 0 H GLU A 91 -12.860 -4.100 6.763 1.00 0.00 H new ATOM 0 HA GLU A 91 -12.340 -2.255 8.951 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -11.334 -2.257 6.545 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -12.872 -1.581 6.046 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -11.174 0.164 6.443 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -12.567 0.350 7.489 1.00 0.00 H new ATOM 1398 N GLN A 92 -15.221 -2.403 7.371 1.00 0.00 N ATOM 1399 CA GLN A 92 -16.617 -1.985 7.431 1.00 0.00 C ATOM 1400 C GLN A 92 -17.243 -2.367 8.768 1.00 0.00 C ATOM 1401 O GLN A 92 -18.001 -1.595 9.354 1.00 0.00 O ATOM 1402 CB GLN A 92 -17.410 -2.615 6.284 1.00 0.00 C ATOM 1403 CG GLN A 92 -16.999 -2.109 4.911 1.00 0.00 C ATOM 1404 CD GLN A 92 -17.681 -0.807 4.540 1.00 0.00 C ATOM 1405 OE1 GLN A 92 -18.814 -0.802 4.058 1.00 0.00 O ATOM 1406 NE2 GLN A 92 -16.993 0.306 4.763 1.00 0.00 N ATOM 0 H GLN A 92 -15.020 -3.101 6.655 1.00 0.00 H new ATOM 0 HA GLN A 92 -16.649 -0.900 7.333 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -17.283 -3.697 6.316 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -18.471 -2.414 6.433 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -15.918 -1.968 4.889 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -17.237 -2.865 4.163 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -16.057 0.255 5.164 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -17.401 1.212 4.533 1.00 0.00 H new ATOM 1415 N PHE A 93 -16.921 -3.565 9.245 1.00 0.00 N ATOM 1416 CA PHE A 93 -17.453 -4.051 10.513 1.00 0.00 C ATOM 1417 C PHE A 93 -16.326 -4.505 11.437 1.00 0.00 C ATOM 1418 O PHE A 93 -16.133 -3.949 12.518 1.00 0.00 O ATOM 1419 CB PHE A 93 -18.427 -5.206 10.272 1.00 0.00 C ATOM 1420 CG PHE A 93 -19.296 -5.015 9.062 1.00 0.00 C ATOM 1421 CD1 PHE A 93 -18.844 -5.380 7.804 1.00 0.00 C ATOM 1422 CD2 PHE A 93 -20.564 -4.471 9.182 1.00 0.00 C ATOM 1423 CE1 PHE A 93 -19.641 -5.206 6.688 1.00 0.00 C ATOM 1424 CE2 PHE A 93 -21.366 -4.295 8.070 1.00 0.00 C ATOM 1425 CZ PHE A 93 -20.903 -4.662 6.822 1.00 0.00 C ATOM 0 H PHE A 93 -16.295 -4.217 8.773 1.00 0.00 H new ATOM 0 HA PHE A 93 -17.985 -3.230 10.994 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -17.861 -6.131 10.160 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -19.062 -5.325 11.150 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -17.857 -5.805 7.694 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -20.930 -4.181 10.156 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -19.277 -5.495 5.713 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -22.353 -3.871 8.177 1.00 0.00 H new ATOM 0 HZ PHE A 93 -21.527 -4.524 5.952 1.00 0.00 H new ATOM 1435 N GLY A 94 -15.586 -5.521 11.004 1.00 0.00 N ATOM 1436 CA GLY A 94 -14.489 -6.033 11.803 1.00 0.00 C ATOM 1437 C GLY A 94 -13.946 -7.344 11.270 1.00 0.00 C ATOM 1438 O GLY A 94 -14.611 -8.027 10.492 1.00 0.00 O ATOM 0 H GLY A 94 -15.727 -5.999 10.114 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -13.687 -5.295 11.829 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -14.826 -6.174 12.830 1.00 0.00 H new ATOM 1442 N GLU A 95 -12.734 -7.695 11.689 1.00 0.00 N ATOM 1443 CA GLU A 95 -12.102 -8.933 11.246 1.00 0.00 C ATOM 1444 C GLU A 95 -12.619 -10.125 12.047 1.00 0.00 C ATOM 1445 O GLU A 95 -12.543 -11.267 11.596 1.00 0.00 O ATOM 1446 CB GLU A 95 -10.582 -8.832 11.384 1.00 0.00 C ATOM 1447 CG GLU A 95 -9.881 -10.181 11.393 1.00 0.00 C ATOM 1448 CD GLU A 95 -10.114 -10.968 10.118 1.00 0.00 C ATOM 1449 OE1 GLU A 95 -10.466 -10.346 9.094 1.00 0.00 O ATOM 1450 OE2 GLU A 95 -9.943 -12.205 10.144 1.00 0.00 O ATOM 0 H GLU A 95 -12.171 -7.141 12.334 1.00 0.00 H new ATOM 0 HA GLU A 95 -12.355 -9.086 10.197 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -10.190 -8.234 10.562 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -10.344 -8.302 12.306 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.811 -10.029 11.531 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -10.233 -10.763 12.244 1.00 0.00 H new ATOM 1457 N GLU A 96 -13.143 -9.848 13.237 1.00 0.00 N ATOM 1458 CA GLU A 96 -13.671 -10.898 14.101 1.00 0.00 C ATOM 1459 C GLU A 96 -14.891 -11.561 13.468 1.00 0.00 C ATOM 1460 O GLU A 96 -15.041 -12.781 13.513 1.00 0.00 O ATOM 1461 CB GLU A 96 -14.041 -10.324 15.470 1.00 0.00 C ATOM 1462 CG GLU A 96 -15.045 -9.186 15.402 1.00 0.00 C ATOM 1463 CD GLU A 96 -15.044 -8.331 16.654 1.00 0.00 C ATOM 1464 OE1 GLU A 96 -15.637 -8.761 17.666 1.00 0.00 O ATOM 1465 OE2 GLU A 96 -14.451 -7.232 16.623 1.00 0.00 O ATOM 0 H GLU A 96 -13.213 -8.907 13.624 1.00 0.00 H new ATOM 0 HA GLU A 96 -12.895 -11.653 14.229 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -14.450 -11.121 16.090 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -13.136 -9.969 15.963 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -14.820 -8.560 14.539 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -16.043 -9.596 15.247 1.00 0.00 H new ATOM 1472 N ASN A 97 -15.761 -10.746 12.880 1.00 0.00 N ATOM 1473 CA ASN A 97 -16.969 -11.253 12.239 1.00 0.00 C ATOM 1474 C ASN A 97 -16.634 -11.967 10.933 1.00 0.00 C ATOM 1475 O ASN A 97 -17.205 -13.011 10.619 1.00 0.00 O ATOM 1476 CB ASN A 97 -17.948 -10.108 11.971 1.00 0.00 C ATOM 1477 CG ASN A 97 -17.688 -9.424 10.642 1.00 0.00 C ATOM 1478 OD1 ASN A 97 -17.064 -8.253 10.691 1.00 0.00 O flip ATOM 1479 ND2 ASN A 97 -18.043 -9.944 9.584 1.00 0.00 N flip ATOM 0 H ASN A 97 -15.652 -9.733 12.834 1.00 0.00 H new ATOM 0 HA ASN A 97 -17.435 -11.970 12.915 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -18.967 -10.494 11.984 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -17.874 -9.375 12.774 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -18.520 -10.846 9.594 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -17.860 -9.473 8.698 1.00 0.00 H new ATOM 1486 N VAL A 98 -15.703 -11.396 10.175 1.00 0.00 N ATOM 1487 CA VAL A 98 -15.290 -11.977 8.903 1.00 0.00 C ATOM 1488 C VAL A 98 -14.952 -13.456 9.060 1.00 0.00 C ATOM 1489 O VAL A 98 -15.283 -14.273 8.201 1.00 0.00 O ATOM 1490 CB VAL A 98 -14.069 -11.242 8.320 1.00 0.00 C ATOM 1491 CG1 VAL A 98 -13.386 -12.096 7.263 1.00 0.00 C ATOM 1492 CG2 VAL A 98 -14.483 -9.896 7.745 1.00 0.00 C ATOM 0 H VAL A 98 -15.220 -10.531 10.420 1.00 0.00 H new ATOM 0 HA VAL A 98 -16.130 -11.869 8.217 1.00 0.00 H new ATOM 0 HB VAL A 98 -13.355 -11.064 9.124 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -12.526 -11.560 6.862 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -13.054 -13.033 7.711 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -14.088 -12.308 6.457 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -13.608 -9.390 7.337 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -15.216 -10.049 6.953 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -14.922 -9.284 8.532 1.00 0.00 H new ATOM 1502 N ASN A 99 -14.290 -13.793 10.162 1.00 0.00 N ATOM 1503 CA ASN A 99 -13.907 -15.174 10.431 1.00 0.00 C ATOM 1504 C ASN A 99 -15.078 -16.121 10.188 1.00 0.00 C ATOM 1505 O ASN A 99 -14.948 -17.118 9.477 1.00 0.00 O ATOM 1506 CB ASN A 99 -13.412 -15.316 11.872 1.00 0.00 C ATOM 1507 CG ASN A 99 -11.932 -15.017 12.007 1.00 0.00 C ATOM 1508 OD1 ASN A 99 -11.425 -14.059 11.424 1.00 0.00 O ATOM 1509 ND2 ASN A 99 -11.231 -15.838 12.780 1.00 0.00 N ATOM 0 H ASN A 99 -14.008 -13.129 10.883 1.00 0.00 H new ATOM 0 HA ASN A 99 -13.100 -15.441 9.748 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -13.976 -14.641 12.515 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -13.609 -16.329 12.223 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -10.231 -15.687 12.910 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -11.693 -16.620 13.244 1.00 0.00 H new ATOM 1516 N THR A 100 -16.224 -15.802 10.783 1.00 0.00 N ATOM 1517 CA THR A 100 -17.418 -16.623 10.632 1.00 0.00 C ATOM 1518 C THR A 100 -18.152 -16.293 9.337 1.00 0.00 C ATOM 1519 O THR A 100 -18.915 -17.109 8.819 1.00 0.00 O ATOM 1520 CB THR A 100 -18.383 -16.435 11.818 1.00 0.00 C ATOM 1521 OG1 THR A 100 -19.562 -17.222 11.619 1.00 0.00 O ATOM 1522 CG2 THR A 100 -18.765 -14.971 11.978 1.00 0.00 C ATOM 0 H THR A 100 -16.349 -14.980 11.374 1.00 0.00 H new ATOM 0 HA THR A 100 -17.086 -17.661 10.604 1.00 0.00 H new ATOM 0 HB THR A 100 -17.877 -16.763 12.726 1.00 0.00 H new ATOM 0 HG1 THR A 100 -20.170 -17.098 12.378 1.00 0.00 H new ATOM 0 HG21 THR A 100 -19.447 -14.863 12.822 1.00 0.00 H new ATOM 0 HG22 THR A 100 -17.868 -14.379 12.158 1.00 0.00 H new ATOM 0 HG23 THR A 100 -19.254 -14.621 11.069 1.00 0.00 H new ATOM 1530 N TYR A 101 -17.917 -15.093 8.819 1.00 0.00 N ATOM 1531 CA TYR A 101 -18.558 -14.654 7.584 1.00 0.00 C ATOM 1532 C TYR A 101 -18.174 -15.562 6.419 1.00 0.00 C ATOM 1533 O TYR A 101 -19.023 -16.242 5.842 1.00 0.00 O ATOM 1534 CB TYR A 101 -18.170 -13.209 7.269 1.00 0.00 C ATOM 1535 CG TYR A 101 -19.011 -12.580 6.181 1.00 0.00 C ATOM 1536 CD1 TYR A 101 -18.650 -12.693 4.844 1.00 0.00 C ATOM 1537 CD2 TYR A 101 -20.165 -11.871 6.491 1.00 0.00 C ATOM 1538 CE1 TYR A 101 -19.415 -12.119 3.847 1.00 0.00 C ATOM 1539 CE2 TYR A 101 -20.936 -11.295 5.500 1.00 0.00 C ATOM 1540 CZ TYR A 101 -20.557 -11.422 4.180 1.00 0.00 C ATOM 1541 OH TYR A 101 -21.322 -10.848 3.190 1.00 0.00 O ATOM 0 H TYR A 101 -17.288 -14.406 9.235 1.00 0.00 H new ATOM 0 HA TYR A 101 -19.637 -14.710 7.724 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -18.259 -12.612 8.176 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -17.122 -13.180 6.969 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -17.756 -13.239 4.580 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -20.464 -11.769 7.524 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -19.120 -12.216 2.813 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -21.831 -10.748 5.758 1.00 0.00 H new ATOM 0 HH TYR A 101 -22.092 -10.395 3.593 1.00 0.00 H new ATOM 1551 N PHE A 102 -16.890 -15.567 6.080 1.00 0.00 N ATOM 1552 CA PHE A 102 -16.392 -16.389 4.984 1.00 0.00 C ATOM 1553 C PHE A 102 -16.897 -17.824 5.108 1.00 0.00 C ATOM 1554 O PHE A 102 -17.018 -18.539 4.113 1.00 0.00 O ATOM 1555 CB PHE A 102 -14.862 -16.376 4.962 1.00 0.00 C ATOM 1556 CG PHE A 102 -14.284 -15.277 4.117 1.00 0.00 C ATOM 1557 CD1 PHE A 102 -14.890 -14.032 4.066 1.00 0.00 C ATOM 1558 CD2 PHE A 102 -13.134 -15.489 3.373 1.00 0.00 C ATOM 1559 CE1 PHE A 102 -14.361 -13.019 3.289 1.00 0.00 C ATOM 1560 CE2 PHE A 102 -12.600 -14.479 2.595 1.00 0.00 C ATOM 1561 CZ PHE A 102 -13.215 -13.243 2.552 1.00 0.00 C ATOM 0 H PHE A 102 -16.175 -15.011 6.549 1.00 0.00 H new ATOM 0 HA PHE A 102 -16.765 -15.969 4.050 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -14.493 -16.271 5.982 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -14.504 -17.336 4.590 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -15.787 -13.851 4.640 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -12.650 -16.454 3.401 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -14.843 -12.053 3.258 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -11.702 -14.656 2.021 1.00 0.00 H new ATOM 0 HZ PHE A 102 -12.800 -12.453 1.943 1.00 0.00 H new ATOM 1571 N VAL A 103 -17.191 -18.238 6.336 1.00 0.00 N ATOM 1572 CA VAL A 103 -17.683 -19.586 6.591 1.00 0.00 C ATOM 1573 C VAL A 103 -19.146 -19.564 7.023 1.00 0.00 C ATOM 1574 O VAL A 103 -19.786 -18.513 7.027 1.00 0.00 O ATOM 1575 CB VAL A 103 -16.850 -20.292 7.677 1.00 0.00 C ATOM 1576 CG1 VAL A 103 -15.410 -20.463 7.217 1.00 0.00 C ATOM 1577 CG2 VAL A 103 -16.913 -19.518 8.984 1.00 0.00 C ATOM 0 H VAL A 103 -17.097 -17.659 7.170 1.00 0.00 H new ATOM 0 HA VAL A 103 -17.590 -20.139 5.656 1.00 0.00 H new ATOM 0 HB VAL A 103 -17.272 -21.282 7.848 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -14.836 -20.964 7.997 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -15.387 -21.063 6.308 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -14.973 -19.485 7.017 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -16.319 -20.031 9.740 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -16.517 -18.514 8.832 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -17.948 -19.453 9.319 1.00 0.00 H new ATOM 1587 N SER A 104 -19.667 -20.732 7.386 1.00 0.00 N ATOM 1588 CA SER A 104 -21.055 -20.848 7.816 1.00 0.00 C ATOM 1589 C SER A 104 -21.283 -22.154 8.570 1.00 0.00 C ATOM 1590 O SER A 104 -20.698 -23.185 8.239 1.00 0.00 O ATOM 1591 CB SER A 104 -21.994 -20.771 6.610 1.00 0.00 C ATOM 1592 OG SER A 104 -23.320 -20.479 7.014 1.00 0.00 O ATOM 0 H SER A 104 -19.149 -21.611 7.391 1.00 0.00 H new ATOM 0 HA SER A 104 -21.271 -20.018 8.489 1.00 0.00 H new ATOM 0 HB2 SER A 104 -21.643 -20.003 5.920 1.00 0.00 H new ATOM 0 HB3 SER A 104 -21.975 -21.717 6.070 1.00 0.00 H new ATOM 0 HG SER A 104 -23.900 -20.434 6.225 1.00 0.00 H new ATOM 1598 N GLY A 105 -22.138 -22.103 9.587 1.00 0.00 N ATOM 1599 CA GLY A 105 -22.429 -23.288 10.373 1.00 0.00 C ATOM 1600 C GLY A 105 -23.832 -23.274 10.945 1.00 0.00 C ATOM 1601 O GLY A 105 -24.396 -22.219 11.239 1.00 0.00 O ATOM 0 H GLY A 105 -22.635 -21.262 9.881 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -22.303 -24.173 9.750 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -21.709 -23.366 11.187 1.00 0.00 H new ATOM 1605 N PRO A 106 -24.420 -24.468 11.110 1.00 0.00 N ATOM 1606 CA PRO A 106 -25.774 -24.616 11.651 1.00 0.00 C ATOM 1607 C PRO A 106 -25.848 -24.266 13.133 1.00 0.00 C ATOM 1608 O PRO A 106 -26.767 -23.575 13.572 1.00 0.00 O ATOM 1609 CB PRO A 106 -26.082 -26.101 11.437 1.00 0.00 C ATOM 1610 CG PRO A 106 -24.747 -26.763 11.402 1.00 0.00 C ATOM 1611 CD PRO A 106 -23.807 -25.767 10.782 1.00 0.00 C ATOM 0 HA PRO A 106 -26.482 -23.945 11.165 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -26.700 -26.497 12.243 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -26.628 -26.262 10.508 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -24.420 -27.036 12.405 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -24.783 -27.682 10.817 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -22.802 -25.852 11.195 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -23.723 -25.911 9.705 1.00 0.00 H new ATOM 1619 N SER A 107 -24.874 -24.746 13.900 1.00 0.00 N ATOM 1620 CA SER A 107 -24.831 -24.485 15.334 1.00 0.00 C ATOM 1621 C SER A 107 -24.699 -22.991 15.611 1.00 0.00 C ATOM 1622 O SER A 107 -23.904 -22.298 14.975 1.00 0.00 O ATOM 1623 CB SER A 107 -23.665 -25.240 15.976 1.00 0.00 C ATOM 1624 OG SER A 107 -23.816 -25.311 17.383 1.00 0.00 O ATOM 0 H SER A 107 -24.104 -25.318 13.552 1.00 0.00 H new ATOM 0 HA SER A 107 -25.766 -24.836 15.770 1.00 0.00 H new ATOM 0 HB2 SER A 107 -23.608 -26.247 15.562 1.00 0.00 H new ATOM 0 HB3 SER A 107 -22.727 -24.741 15.733 1.00 0.00 H new ATOM 0 HG SER A 107 -23.059 -25.800 17.769 1.00 0.00 H new ATOM 1630 N SER A 108 -25.484 -22.501 16.564 1.00 0.00 N ATOM 1631 CA SER A 108 -25.459 -21.088 16.924 1.00 0.00 C ATOM 1632 C SER A 108 -25.340 -20.914 18.435 1.00 0.00 C ATOM 1633 O SER A 108 -26.260 -21.243 19.183 1.00 0.00 O ATOM 1634 CB SER A 108 -26.721 -20.388 16.417 1.00 0.00 C ATOM 1635 OG SER A 108 -26.837 -20.502 15.009 1.00 0.00 O ATOM 0 H SER A 108 -26.146 -23.061 17.101 1.00 0.00 H new ATOM 0 HA SER A 108 -24.587 -20.635 16.454 1.00 0.00 H new ATOM 0 HB2 SER A 108 -27.599 -20.824 16.894 1.00 0.00 H new ATOM 0 HB3 SER A 108 -26.695 -19.335 16.699 1.00 0.00 H new ATOM 0 HG SER A 108 -27.652 -20.048 14.710 1.00 0.00 H new ATOM 1641 N GLY A 109 -24.199 -20.394 18.877 1.00 0.00 N ATOM 1642 CA GLY A 109 -23.979 -20.185 20.296 1.00 0.00 C ATOM 1643 C GLY A 109 -23.714 -18.731 20.634 1.00 0.00 C ATOM 1644 O GLY A 109 -22.861 -18.426 21.467 1.00 0.00 O ATOM 0 H GLY A 109 -23.423 -20.114 18.277 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -24.852 -20.530 20.850 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -23.134 -20.791 20.622 1.00 0.00 H new TER 1648 GLY A 109